REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gz4_1_A DATA FIRST_RESID 23 DATA SEQUENCE EKGKPLXLNP RTNKGXAFTL QERQXLGLQG LLPPKIETQD IQALRFHRNL DATA SEQUENCE KKXTSPLEKY IYIXGIQERN EKLFYRILQD DIESLXPIVY TPTVGLACSQ DATA SEQUENCE YGHIFRRPKG LFISISDRGH VRSIVDNWPE NHVKAVVVTD GERILGLGDL DATA SEQUENCE GVYGXGIPVG KLCLYTACAG IRPDRCLPVC IDVGTDNIAL LKDPFYXGLY DATA SEQUENCE QKRDRTQQYD DLIDEFXKAI TDRYGRNTLI QFEDFGNHNA FRFLRKYREK DATA SEQUENCE YCTFNDDIQG TAAVALAGLL AAQKVISKPI SEHKILFLGA GEAALGIANL DATA SEQUENCE IVXSXVENGL SEQEAQKKIW XFDKYGLLVK GRKAKIDSYQ EPFTHSAPES DATA SEQUENCE IPDTFEDAVN ILKPSTIIGV AGAGRLFTPD VIRAXASINE RPVIFALSNP DATA SEQUENCE TAQAECTAEE AYTLTEGRCL FASGSPFGPV KLTDGRVFTP GQGNNVYIFP DATA SEQUENCE GVALAVILCN TRHISDSVFL EAAKALTSQL TDEELAQGRL YPPLANIQEV DATA SEQUENCE SINIAIKVTE YLYANKXAFR YPEPEDKAKY VKERTWRSEY DSLLPDVYEW DATA SEQUENCE P VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 23 E HA 0.000 nan 4.350 nan 0.000 0.291 23 E C 0.000 176.593 176.600 -0.012 0.000 1.382 23 E CA 0.000 56.399 56.400 -0.002 0.000 0.976 23 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 24 K N 1.936 122.321 120.400 -0.026 0.000 2.352 24 K HA 0.922 5.242 4.320 -0.001 0.000 0.240 24 K C 0.424 176.987 176.600 -0.061 0.000 1.017 24 K CA -0.488 55.770 56.287 -0.048 0.000 0.851 24 K CB 1.718 34.189 32.500 -0.048 0.000 1.261 24 K HN 0.977 nan 8.250 nan 0.000 0.451 25 G N 1.270 110.015 108.800 -0.092 0.000 2.681 25 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.220 25 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.220 25 G C 0.375 175.219 174.900 -0.093 0.000 1.353 25 G CA 0.405 45.450 45.100 -0.092 0.000 0.872 25 G HN 0.814 nan 8.290 nan 0.000 0.557 26 K N 0.915 121.271 120.400 -0.073 0.000 2.107 26 K HA -0.105 4.214 4.320 -0.001 0.000 0.211 26 K C 0.190 176.768 176.600 -0.037 0.000 1.049 26 K CA 2.926 59.180 56.287 -0.056 0.000 0.927 26 K CB -1.302 31.175 32.500 -0.039 0.000 0.714 26 K HN 0.331 nan 8.250 nan 0.000 0.452 27 P HA -0.151 nan 4.420 nan 0.000 0.218 27 P C 0.145 177.445 177.300 -0.001 0.000 1.146 27 P CA 0.919 64.010 63.100 -0.016 0.000 0.813 27 P CB 0.043 31.732 31.700 -0.019 0.000 0.778 31 N N 3.275 121.988 118.700 0.021 0.000 2.420 31 N HA 0.213 4.953 4.740 -0.001 0.000 0.249 31 N C -1.642 173.887 175.510 0.032 0.000 1.033 31 N CA -1.985 51.073 53.050 0.012 0.000 0.944 31 N CB 1.528 40.023 38.487 0.014 0.000 1.113 31 N HN -0.041 nan 8.380 nan 0.000 0.502 32 P HA -0.162 nan 4.420 nan 0.000 0.221 32 P C 1.053 178.390 177.300 0.063 0.000 1.145 32 P CA 0.830 63.943 63.100 0.022 0.000 0.795 32 P CB 0.564 32.249 31.700 -0.025 0.000 0.775 33 R N 0.731 121.265 120.500 0.058 0.000 2.092 33 R HA -0.067 4.273 4.340 -0.001 0.000 0.231 33 R C 2.162 178.539 176.300 0.128 0.000 1.119 33 R CA 2.319 58.475 56.100 0.093 0.000 0.970 33 R CB -1.173 29.160 30.300 0.055 0.000 0.864 33 R HN 0.277 nan 8.270 nan 0.000 0.440 34 T N -3.097 111.525 114.554 0.113 0.000 3.015 34 T HA 0.135 4.485 4.350 -0.001 0.000 0.250 34 T C 0.598 175.381 174.700 0.139 0.000 1.057 34 T CA -0.280 61.903 62.100 0.139 0.000 1.066 34 T CB -0.312 68.648 68.868 0.153 0.000 0.959 34 T HN 0.051 nan 8.240 nan 0.000 0.488 35 N N 2.061 120.840 118.700 0.132 0.000 2.411 35 N HA 0.081 4.821 4.740 -0.001 0.000 0.261 35 N C 0.517 175.929 175.510 -0.162 0.000 1.248 35 N CA 0.320 53.437 53.050 0.112 0.000 0.885 35 N CB 0.605 39.162 38.487 0.117 0.000 1.062 35 N HN 0.335 nan 8.380 nan 0.000 0.471 36 K N 2.128 122.113 120.400 -0.692 0.000 2.374 36 K HA 0.228 4.548 4.320 -0.001 0.000 0.202 36 K C 0.722 177.003 176.600 -0.532 0.000 1.040 36 K CA 0.144 55.848 56.287 -0.972 0.000 1.085 36 K CB 0.291 31.671 32.500 -1.866 0.000 0.873 36 K HN 0.805 nan 8.250 nan 0.000 0.539 40 F N 3.200 123.037 119.950 -0.187 0.000 2.578 40 F HA 0.310 4.837 4.527 -0.001 0.000 0.381 40 F C 1.761 177.508 175.800 -0.089 0.000 1.069 40 F CA 1.330 59.242 58.000 -0.146 0.000 1.231 40 F CB 0.885 39.821 39.000 -0.106 0.000 1.086 40 F HN 0.307 nan 8.300 nan 0.000 0.564 41 T N 1.732 116.360 114.554 0.123 0.000 2.802 41 T HA 0.046 4.395 4.350 -0.001 0.000 0.305 41 T C 1.057 175.794 174.700 0.061 0.000 1.053 41 T CA -0.893 61.247 62.100 0.067 0.000 1.058 41 T CB 0.896 69.791 68.868 0.045 0.000 0.988 41 T HN 0.576 nan 8.240 nan 0.000 0.539 42 L N 0.856 122.100 121.223 0.034 0.000 2.042 42 L HA -0.074 4.265 4.340 -0.001 0.000 0.210 42 L C 2.883 179.757 176.870 0.008 0.000 1.076 42 L CA 1.768 56.618 54.840 0.017 0.000 0.749 42 L CB -1.083 40.983 42.059 0.011 0.000 0.893 42 L HN 0.803 nan 8.230 nan 0.000 0.432 43 Q N -0.645 119.163 119.800 0.013 0.000 2.084 43 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 43 Q C 2.093 178.095 176.000 0.003 0.000 0.978 43 Q CA 1.945 57.751 55.803 0.006 0.000 0.844 43 Q CB -0.143 28.602 28.738 0.012 0.000 0.898 43 Q HN 0.669 nan 8.270 nan 0.000 0.426 44 E N 0.456 120.671 120.200 0.025 0.000 2.051 44 E HA -0.188 4.162 4.350 -0.001 0.000 0.192 44 E C 2.091 178.658 176.600 -0.055 0.000 0.991 44 E CA 0.848 57.263 56.400 0.026 0.000 0.799 44 E CB -0.054 29.726 29.700 0.133 0.000 0.748 44 E HN 0.266 nan 8.360 nan 0.000 0.449 45 R N 1.027 121.489 120.500 -0.063 0.000 2.083 45 R HA -0.096 4.244 4.340 -0.001 0.000 0.237 45 R C 1.405 177.644 176.300 -0.102 0.000 1.137 45 R CA 0.940 56.962 56.100 -0.130 0.000 0.951 45 R CB -0.289 29.963 30.300 -0.081 0.000 0.851 45 R HN 0.258 nan 8.270 nan 0.000 0.434 49 G N 1.423 110.158 108.800 -0.109 0.000 2.246 49 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.273 49 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.273 49 G C 0.382 175.204 174.900 -0.128 0.000 1.055 49 G CA 0.644 45.684 45.100 -0.100 0.000 0.851 49 G HN 0.332 nan 8.290 nan 0.000 0.500 50 L N -0.963 120.159 121.223 -0.167 0.000 2.664 50 L HA 0.226 4.565 4.340 -0.001 0.000 0.233 50 L C 1.330 178.121 176.870 -0.131 0.000 1.113 50 L CA -0.323 54.397 54.840 -0.200 0.000 0.896 50 L CB 0.053 41.887 42.059 -0.375 0.000 1.163 50 L HN 0.202 nan 8.230 nan 0.000 0.497 51 Q N 1.155 120.896 119.800 -0.098 0.000 2.247 51 Q HA 0.080 4.419 4.340 -0.001 0.000 0.288 51 Q C 1.208 177.177 176.000 -0.051 0.000 1.079 51 Q CA 1.359 57.124 55.803 -0.063 0.000 0.932 51 Q CB 0.743 29.451 28.738 -0.050 0.000 1.133 51 Q HN 0.480 nan 8.270 nan 0.000 0.377 52 G N 2.650 111.428 108.800 -0.038 0.000 2.268 52 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.240 52 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.240 52 G C 0.677 175.560 174.900 -0.028 0.000 1.010 52 G CA 0.293 45.376 45.100 -0.029 0.000 0.618 52 G HN 0.554 nan 8.290 nan 0.000 0.516 53 L N 0.112 121.310 121.223 -0.041 0.000 2.558 53 L HA 0.468 4.808 4.340 -0.001 0.000 0.225 53 L C 1.001 177.859 176.870 -0.019 0.000 1.128 53 L CA 0.381 55.199 54.840 -0.036 0.000 0.868 53 L CB 0.007 42.032 42.059 -0.057 0.000 1.006 53 L HN 0.195 nan 8.230 nan 0.000 0.454 54 L N -0.979 120.235 121.223 -0.014 0.000 2.354 54 L HA 0.496 4.835 4.340 -0.001 0.000 0.264 54 L C -2.222 174.656 176.870 0.013 0.000 1.008 54 L CA -1.918 52.930 54.840 0.013 0.000 0.819 54 L CB 1.649 43.729 42.059 0.035 0.000 1.339 54 L HN -0.257 nan 8.230 nan 0.000 0.420 55 P HA 0.102 nan 4.420 nan 0.000 0.268 55 P C -2.092 175.218 177.300 0.017 0.000 1.208 55 P CA -0.791 62.319 63.100 0.017 0.000 0.777 55 P CB 0.137 31.850 31.700 0.022 0.000 0.875 56 P HA -0.157 nan 4.420 nan 0.000 0.216 56 P C 0.102 177.412 177.300 0.017 0.000 1.150 56 P CA 1.313 64.420 63.100 0.011 0.000 0.843 56 P CB 0.015 31.719 31.700 0.008 0.000 0.787 57 K N 0.926 121.338 120.400 0.020 0.000 2.484 57 K HA 0.010 4.330 4.320 -0.001 0.000 0.280 57 K C -0.267 176.350 176.600 0.028 0.000 1.013 57 K CA 0.559 56.860 56.287 0.023 0.000 1.029 57 K CB -0.334 32.181 32.500 0.024 0.000 0.902 57 K HN -0.095 nan 8.250 nan 0.000 0.481 58 I N 5.052 125.638 120.570 0.027 0.000 2.307 58 I HA 0.203 4.373 4.170 -0.001 0.000 0.289 58 I C 0.358 176.491 176.117 0.028 0.000 1.021 58 I CA -0.204 61.113 61.300 0.028 0.000 1.224 58 I CB 0.863 38.879 38.000 0.025 0.000 1.376 58 I HN 0.763 nan 8.210 nan 0.000 0.470 59 E N 3.890 124.107 120.200 0.028 0.000 2.239 59 E HA 0.553 4.903 4.350 -0.001 0.000 0.261 59 E C -0.050 176.576 176.600 0.044 0.000 1.016 59 E CA -0.644 55.778 56.400 0.037 0.000 0.882 59 E CB 1.797 31.524 29.700 0.045 0.000 1.190 59 E HN 0.603 nan 8.360 nan 0.000 0.415 60 T N -2.444 112.147 114.554 0.063 0.000 2.949 60 T HA 0.140 4.490 4.350 -0.001 0.000 0.287 60 T C 0.856 175.631 174.700 0.126 0.000 1.034 60 T CA -0.759 61.393 62.100 0.088 0.000 1.018 60 T CB 1.694 70.599 68.868 0.061 0.000 1.135 60 T HN 0.463 nan 8.240 nan 0.000 0.532 61 Q N -0.262 119.633 119.800 0.157 0.000 2.167 61 Q HA -0.153 4.187 4.340 -0.001 0.000 0.202 61 Q C 1.165 177.188 176.000 0.039 0.000 0.970 61 Q CA 1.561 57.425 55.803 0.102 0.000 0.855 61 Q CB -0.134 28.540 28.738 -0.106 0.000 0.911 61 Q HN 0.680 nan 8.270 nan 0.000 0.438 62 D N 0.357 120.779 120.400 0.037 0.000 2.117 62 D HA -0.165 4.474 4.640 -0.001 0.000 0.197 62 D C 1.730 178.070 176.300 0.066 0.000 0.987 62 D CA 0.842 54.867 54.000 0.041 0.000 0.829 62 D CB -0.044 40.776 40.800 0.033 0.000 0.961 62 D HN 0.267 nan 8.370 nan 0.000 0.460 63 I N 0.935 121.545 120.570 0.066 0.000 2.315 63 I HA -0.181 3.989 4.170 -0.001 0.000 0.248 63 I C 2.263 178.431 176.117 0.085 0.000 1.117 63 I CA 1.060 62.403 61.300 0.071 0.000 1.404 63 I CB -0.907 37.129 38.000 0.061 0.000 1.071 63 I HN 0.104 nan 8.210 nan 0.000 0.419 64 Q N 0.351 120.203 119.800 0.087 0.000 2.119 64 Q HA -0.125 4.215 4.340 -0.001 0.000 0.201 64 Q C 2.414 178.472 176.000 0.096 0.000 0.972 64 Q CA 1.758 57.617 55.803 0.093 0.000 0.847 64 Q CB -0.164 28.634 28.738 0.099 0.000 0.903 64 Q HN 0.526 nan 8.270 nan 0.000 0.433 65 A N 0.858 123.726 122.820 0.079 0.000 1.902 65 A HA -0.154 4.165 4.320 -0.001 0.000 0.217 65 A C 2.045 179.754 177.584 0.209 0.000 1.181 65 A CA 0.990 53.080 52.037 0.089 0.000 0.623 65 A CB -0.648 18.413 19.000 0.103 0.000 0.818 65 A HN 0.287 nan 8.150 nan 0.000 0.443 66 L N -0.969 120.375 121.223 0.201 0.000 2.046 66 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 66 L C 2.836 179.806 176.870 0.167 0.000 1.077 66 L CA 1.887 56.852 54.840 0.209 0.000 0.747 66 L CB -0.500 41.637 42.059 0.131 0.000 0.896 66 L HN 0.535 nan 8.230 nan 0.000 0.432 67 R N -0.050 120.532 120.500 0.137 0.000 2.091 67 R HA -0.260 4.079 4.340 -0.001 0.000 0.238 67 R C 2.414 178.795 176.300 0.135 0.000 1.136 67 R CA 1.994 58.164 56.100 0.117 0.000 0.959 67 R CB -0.495 29.874 30.300 0.116 0.000 0.856 67 R HN 0.235 nan 8.270 nan 0.000 0.437 68 F N 1.006 120.969 119.950 0.022 0.000 2.046 68 F HA -0.223 4.303 4.527 -0.000 0.000 0.297 68 F C 1.898 177.697 175.800 -0.002 0.000 1.123 68 F CA 2.315 60.308 58.000 -0.011 0.000 1.199 68 F CB -0.589 38.265 39.000 -0.244 0.000 0.972 68 F HN 0.155 nan 8.300 nan 0.000 0.474 69 H N -0.835 118.248 119.070 0.022 0.000 2.387 69 H HA -0.111 4.445 4.556 -0.001 0.000 0.299 69 H C 2.256 177.508 175.328 -0.126 0.000 1.099 69 H CA 1.523 57.512 56.048 -0.098 0.000 1.315 69 H CB -0.139 29.681 29.762 0.097 0.000 1.380 69 H HN 0.078 nan 8.280 nan 0.000 0.513 70 R N 0.596 121.124 120.500 0.046 0.000 2.070 70 R HA -0.081 4.259 4.340 -0.001 0.000 0.233 70 R C 1.956 178.219 176.300 -0.061 0.000 1.137 70 R CA 1.346 57.450 56.100 0.007 0.000 0.945 70 R CB -0.244 30.070 30.300 0.022 0.000 0.845 70 R HN 0.371 nan 8.270 nan 0.000 0.430 71 N N 0.108 118.747 118.700 -0.102 0.000 2.188 71 N HA -0.145 4.595 4.740 -0.001 0.000 0.184 71 N C 1.617 177.000 175.510 -0.212 0.000 1.018 71 N CA 0.855 53.803 53.050 -0.170 0.000 0.858 71 N CB -0.261 38.094 38.487 -0.220 0.000 0.989 71 N HN 0.107 nan 8.380 nan 0.000 0.426 72 L N 1.618 122.683 121.223 -0.264 0.000 2.046 72 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 72 L C 2.084 178.892 176.870 -0.104 0.000 1.077 72 L CA 1.648 56.355 54.840 -0.222 0.000 0.747 72 L CB -0.378 41.400 42.059 -0.468 0.000 0.896 72 L HN -0.109 nan 8.230 nan 0.000 0.432 73 K N 0.114 120.466 120.400 -0.080 0.000 2.211 73 K HA -0.115 4.205 4.320 -0.001 0.000 0.204 73 K C 0.690 177.269 176.600 -0.034 0.000 1.047 73 K CA 1.156 57.425 56.287 -0.030 0.000 0.935 73 K CB -0.084 32.409 32.500 -0.011 0.000 0.728 73 K HN 0.335 nan 8.250 nan 0.000 0.452 77 S N 3.118 118.833 115.700 0.024 0.000 2.580 77 S HA 0.535 5.004 4.470 -0.001 0.000 0.274 77 S C -1.861 172.774 174.600 0.057 0.000 1.329 77 S CA -0.771 57.450 58.200 0.035 0.000 1.036 77 S CB 1.154 64.371 63.200 0.028 0.000 0.919 77 S HN 0.218 nan 8.310 nan 0.000 0.515 78 P HA -0.053 nan 4.420 nan 0.000 0.217 78 P C 1.586 178.959 177.300 0.121 0.000 1.150 78 P CA 0.308 63.462 63.100 0.090 0.000 0.832 78 P CB 0.006 31.746 31.700 0.068 0.000 0.787 79 L N 0.366 121.637 121.223 0.080 0.000 2.083 79 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 79 L C 2.223 179.181 176.870 0.147 0.000 1.083 79 L CA 1.908 56.798 54.840 0.083 0.000 0.752 79 L CB -1.266 40.806 42.059 0.022 0.000 0.899 79 L HN -0.038 nan 8.230 nan 0.000 0.433 80 E N -0.528 119.736 120.200 0.106 0.000 2.077 80 E HA -0.259 4.091 4.350 -0.001 0.000 0.193 80 E C 2.097 178.793 176.600 0.159 0.000 0.989 80 E CA 1.308 57.767 56.400 0.099 0.000 0.800 80 E CB -0.016 29.711 29.700 0.046 0.000 0.746 80 E HN 0.532 nan 8.360 nan 0.000 0.452 81 K N -0.369 120.136 120.400 0.175 0.000 2.097 81 K HA -0.193 4.126 4.320 -0.001 0.000 0.206 81 K C 2.152 178.909 176.600 0.262 0.000 1.049 81 K CA 1.463 57.889 56.287 0.231 0.000 0.933 81 K CB -0.370 32.243 32.500 0.189 0.000 0.717 81 K HN 0.261 nan 8.250 nan 0.000 0.442 82 Y N 1.717 122.091 120.300 0.123 0.000 2.145 82 Y HA -0.207 4.343 4.550 -0.001 0.000 0.286 82 Y C 1.897 177.852 175.900 0.091 0.000 1.145 82 Y CA 1.395 59.559 58.100 0.107 0.000 1.148 82 Y CB -0.118 38.393 38.460 0.084 0.000 0.981 82 Y HN -0.072 nan 8.280 nan 0.000 0.507 83 I N -0.688 120.056 120.570 0.290 0.000 2.264 83 I HA -0.329 3.841 4.170 -0.001 0.000 0.248 83 I C 2.164 178.338 176.117 0.095 0.000 1.111 83 I CA 1.601 62.993 61.300 0.153 0.000 1.382 83 I CB -0.552 37.534 38.000 0.144 0.000 1.060 83 I HN 0.347 nan 8.210 nan 0.000 0.418 84 Y N 2.269 122.576 120.300 0.012 0.000 2.133 84 Y HA -0.086 4.464 4.550 -0.000 0.000 0.287 84 Y C 1.503 177.431 175.900 0.047 0.000 1.134 84 Y CA 0.368 58.482 58.100 0.023 0.000 1.133 84 Y CB -0.572 37.913 38.460 0.042 0.000 0.987 84 Y HN 0.132 nan 8.280 nan 0.000 0.502 88 I N 1.348 121.768 120.570 -0.249 0.000 2.394 88 I HA -0.143 4.026 4.170 -0.001 0.000 0.251 88 I C 2.625 178.557 176.117 -0.308 0.000 1.136 88 I CA 1.670 62.849 61.300 -0.201 0.000 1.425 88 I CB -0.013 37.896 38.000 -0.152 0.000 1.079 88 I HN 0.284 nan 8.210 nan 0.000 0.425 89 Q N 1.065 120.431 119.800 -0.723 0.000 2.297 89 Q HA -0.207 4.132 4.340 -0.001 0.000 0.208 89 Q C 1.407 177.151 176.000 -0.427 0.000 0.981 89 Q CA 1.259 56.491 55.803 -0.951 0.000 0.876 89 Q CB 0.200 27.900 28.738 -1.730 0.000 0.921 89 Q HN 0.447 nan 8.270 nan 0.000 0.446 90 E N -0.429 119.579 120.200 -0.320 0.000 2.479 90 E HA 0.047 4.397 4.350 -0.001 0.000 0.193 90 E C 1.105 177.634 176.600 -0.118 0.000 1.049 90 E CA 0.135 56.421 56.400 -0.190 0.000 0.870 90 E CB 0.472 30.063 29.700 -0.181 0.000 0.944 90 E HN 0.389 nan 8.360 nan 0.000 0.492 91 R N -0.050 120.386 120.500 -0.106 0.000 2.215 91 R HA 0.154 4.494 4.340 -0.001 0.000 0.190 91 R C 0.639 176.937 176.300 -0.004 0.000 0.968 91 R CA 0.065 56.139 56.100 -0.043 0.000 1.122 91 R CB 0.476 30.759 30.300 -0.029 0.000 1.151 91 R HN -0.127 nan 8.270 nan 0.000 0.582 92 N N 1.268 119.968 118.700 -0.001 0.000 2.640 92 N HA 0.002 4.741 4.740 -0.001 0.000 0.262 92 N C -0.109 175.461 175.510 0.100 0.000 1.174 92 N CA 0.067 53.154 53.050 0.063 0.000 0.791 92 N CB 1.546 40.079 38.487 0.077 0.000 1.279 92 N HN 0.122 nan 8.380 nan 0.000 0.535 93 E N 2.460 122.740 120.200 0.132 0.000 2.049 93 E HA -0.203 4.147 4.350 -0.001 0.000 0.198 93 E C 0.972 177.811 176.600 0.398 0.000 1.007 93 E CA 1.345 57.887 56.400 0.237 0.000 0.809 93 E CB 0.300 30.147 29.700 0.245 0.000 0.749 93 E HN 0.347 nan 8.360 nan 0.000 0.450 94 K N 0.334 120.959 120.400 0.374 0.000 2.032 94 K HA -0.192 4.127 4.320 -0.001 0.000 0.209 94 K C 2.298 178.951 176.600 0.088 0.000 1.048 94 K CA 1.064 57.534 56.287 0.305 0.000 0.927 94 K CB -0.665 31.910 32.500 0.124 0.000 0.712 94 K HN 0.238 nan 8.250 nan 0.000 0.441 95 L N 0.862 122.108 121.223 0.038 0.000 2.083 95 L HA -0.139 4.200 4.340 -0.001 0.000 0.209 95 L C 2.216 179.017 176.870 -0.115 0.000 1.083 95 L CA 1.371 56.171 54.840 -0.066 0.000 0.752 95 L CB -0.684 41.377 42.059 0.003 0.000 0.899 95 L HN 0.076 nan 8.230 nan 0.000 0.433 96 F N -0.417 119.396 119.950 -0.228 0.000 2.095 96 F HA -0.298 4.228 4.527 -0.001 0.000 0.298 96 F C 2.064 177.584 175.800 -0.468 0.000 1.104 96 F CA 1.939 59.687 58.000 -0.421 0.000 1.232 96 F CB -0.811 37.895 39.000 -0.490 0.000 0.987 96 F HN 0.177 nan 8.300 nan 0.000 0.475 97 Y N -0.242 119.919 120.300 -0.232 0.000 2.314 97 Y HA -0.128 4.422 4.550 -0.000 0.000 0.293 97 Y C 2.587 178.337 175.900 -0.249 0.000 1.129 97 Y CA 1.250 59.179 58.100 -0.285 0.000 1.201 97 Y CB -0.555 37.977 38.460 0.120 0.000 0.999 97 Y HN 0.013 nan 8.280 nan 0.000 0.541 98 R N 0.934 121.372 120.500 -0.105 0.000 2.091 98 R HA -0.168 4.171 4.340 -0.001 0.000 0.238 98 R C 1.769 177.940 176.300 -0.215 0.000 1.136 98 R CA 1.677 57.682 56.100 -0.158 0.000 0.959 98 R CB -1.084 29.096 30.300 -0.201 0.000 0.856 98 R HN 0.289 nan 8.270 nan 0.000 0.437 99 I N 0.073 120.420 120.570 -0.372 0.000 2.226 99 I HA -0.193 3.977 4.170 -0.001 0.000 0.245 99 I C 1.752 177.631 176.117 -0.397 0.000 1.100 99 I CA 1.010 61.990 61.300 -0.533 0.000 1.374 99 I CB -0.409 36.954 38.000 -1.061 0.000 1.057 99 I HN 0.178 nan 8.210 nan 0.000 0.413 100 L N -0.123 120.826 121.223 -0.456 0.000 2.017 100 L HA -0.237 4.102 4.340 -0.001 0.000 0.208 100 L C 2.517 179.292 176.870 -0.158 0.000 1.073 100 L CA 1.753 56.397 54.840 -0.326 0.000 0.745 100 L CB -1.307 40.496 42.059 -0.428 0.000 0.894 100 L HN 0.408 nan 8.230 nan 0.000 0.432 101 Q N -0.684 119.039 119.800 -0.128 0.000 2.181 101 Q HA -0.233 4.107 4.340 -0.001 0.000 0.205 101 Q C 1.558 177.532 176.000 -0.043 0.000 0.980 101 Q CA 1.709 57.471 55.803 -0.068 0.000 0.862 101 Q CB 0.024 28.728 28.738 -0.057 0.000 0.905 101 Q HN 0.467 nan 8.270 nan 0.000 0.429 102 D N 0.502 120.887 120.400 -0.025 0.000 2.144 102 D HA -0.110 4.530 4.640 -0.001 0.000 0.199 102 D C 0.237 176.555 176.300 0.029 0.000 0.984 102 D CA 1.237 55.256 54.000 0.032 0.000 0.834 102 D CB 0.103 41.001 40.800 0.164 0.000 0.955 102 D HN 0.241 nan 8.370 nan 0.000 0.465 103 D N -0.788 119.637 120.400 0.042 0.000 3.036 103 D HA 0.000 4.640 4.640 -0.001 0.000 0.244 103 D C 0.813 177.128 176.300 0.025 0.000 1.337 103 D CA -0.345 53.677 54.000 0.036 0.000 0.829 103 D CB -0.022 40.816 40.800 0.063 0.000 1.478 103 D HN -0.146 nan 8.370 nan 0.000 0.570 104 I N 1.686 122.250 120.570 -0.010 0.000 2.335 104 I HA -0.156 4.014 4.170 -0.001 0.000 0.251 104 I C 1.954 178.067 176.117 -0.008 0.000 1.129 104 I CA 1.767 63.050 61.300 -0.030 0.000 1.402 104 I CB 0.048 38.013 38.000 -0.058 0.000 1.069 104 I HN 0.396 nan 8.210 nan 0.000 0.424 105 E N -0.129 120.075 120.200 0.006 0.000 2.051 105 E HA -0.229 4.121 4.350 -0.001 0.000 0.192 105 E C 2.238 178.865 176.600 0.045 0.000 0.991 105 E CA 1.673 58.087 56.400 0.023 0.000 0.799 105 E CB -0.171 29.547 29.700 0.030 0.000 0.748 105 E HN 0.663 nan 8.360 nan 0.000 0.449 106 S N -0.197 115.537 115.700 0.056 0.000 2.461 106 S HA 0.030 4.500 4.470 -0.001 0.000 0.228 106 S C 1.139 175.793 174.600 0.090 0.000 1.005 106 S CA 0.018 58.262 58.200 0.074 0.000 0.942 106 S CB -0.181 63.068 63.200 0.082 0.000 0.776 106 S HN 0.108 nan 8.310 nan 0.000 0.514 110 I N -0.549 120.117 120.570 0.160 0.000 2.556 110 I HA -0.007 4.163 4.170 -0.001 0.000 0.251 110 I C 1.854 178.168 176.117 0.327 0.000 1.105 110 I CA 0.571 61.998 61.300 0.212 0.000 1.436 110 I CB 0.159 38.277 38.000 0.197 0.000 1.139 110 I HN -0.123 nan 8.210 nan 0.000 0.438 111 V N -0.541 119.541 119.914 0.280 0.000 3.235 111 V HA -0.049 4.070 4.120 -0.001 0.000 0.259 111 V C 0.792 177.128 176.094 0.405 0.000 1.133 111 V CA 0.969 63.462 62.300 0.322 0.000 1.128 111 V CB -0.043 31.886 31.823 0.176 0.000 0.757 111 V HN 0.333 nan 8.190 nan 0.000 0.469 112 Y N 0.026 120.420 120.300 0.156 0.000 3.175 112 Y HA 0.491 5.041 4.550 -0.001 0.000 0.313 112 Y C 0.797 176.744 175.900 0.078 0.000 1.525 112 Y CA -0.585 57.586 58.100 0.119 0.000 0.992 112 Y CB 0.981 39.495 38.460 0.090 0.000 1.347 112 Y HN -0.099 nan 8.280 nan 0.000 0.691 113 T N 4.108 118.392 114.554 -0.449 0.000 2.930 113 T HA 0.176 4.526 4.350 -0.001 0.000 0.306 113 T C -1.856 172.765 174.700 -0.131 0.000 1.045 113 T CA -1.159 60.732 62.100 -0.349 0.000 1.134 113 T CB 0.586 69.146 68.868 -0.513 0.000 0.961 113 T HN 0.488 nan 8.240 nan 0.000 0.545 114 P HA 0.093 nan 4.420 nan 0.000 0.234 114 P C 1.341 178.593 177.300 -0.080 0.000 1.175 114 P CA 0.388 63.419 63.100 -0.115 0.000 0.801 114 P CB 0.117 31.753 31.700 -0.105 0.000 0.891 115 T N 0.689 115.222 114.554 -0.035 0.000 2.778 115 T HA -0.128 4.221 4.350 -0.001 0.000 0.269 115 T C 1.857 176.487 174.700 -0.117 0.000 1.050 115 T CA 1.260 63.335 62.100 -0.041 0.000 1.137 115 T CB -1.099 67.792 68.868 0.038 0.000 0.860 115 T HN -0.081 nan 8.240 nan 0.000 0.468 116 V N 1.526 121.407 119.914 -0.055 0.000 2.469 116 V HA -0.097 4.023 4.120 -0.001 0.000 0.251 116 V C 2.533 178.558 176.094 -0.114 0.000 1.064 116 V CA 2.263 64.523 62.300 -0.066 0.000 1.066 116 V CB -1.082 30.797 31.823 0.094 0.000 0.667 116 V HN 0.584 nan 8.190 nan 0.000 0.461 117 G N -0.312 108.425 108.800 -0.106 0.000 2.418 117 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.217 117 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.217 117 G C 1.506 176.356 174.900 -0.084 0.000 1.158 117 G CA 1.115 46.161 45.100 -0.090 0.000 0.771 117 G HN 0.511 nan 8.290 nan 0.000 0.545 118 L N 1.379 122.541 121.223 -0.102 0.000 2.046 118 L HA 0.182 4.522 4.340 -0.001 0.000 0.208 118 L C 3.045 179.837 176.870 -0.130 0.000 1.077 118 L CA 2.060 56.844 54.840 -0.093 0.000 0.747 118 L CB -0.763 41.243 42.059 -0.088 0.000 0.896 118 L HN 0.231 nan 8.230 nan 0.000 0.432 119 A N -1.281 121.386 122.820 -0.256 0.000 1.902 119 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 119 A C 2.400 179.974 177.584 -0.016 0.000 1.181 119 A CA 1.895 53.749 52.037 -0.304 0.000 0.623 119 A CB -1.483 17.009 19.000 -0.847 0.000 0.818 119 A HN 0.626 nan 8.150 nan 0.000 0.443 120 C N -0.396 118.891 119.300 -0.020 0.000 2.429 120 C HA -0.071 4.388 4.460 -0.001 0.000 0.277 120 C C 3.214 178.228 174.990 0.040 0.000 1.262 120 C CA 1.291 60.299 59.018 -0.017 0.000 1.733 120 C CB -1.305 26.386 27.740 -0.082 0.000 2.010 120 C HN 0.642 nan 8.230 nan 0.000 0.483 121 S N 0.254 115.975 115.700 0.036 0.000 2.400 121 S HA -0.185 4.285 4.470 -0.001 0.000 0.232 121 S C 1.570 176.202 174.600 0.054 0.000 1.025 121 S CA 1.260 59.517 58.200 0.096 0.000 0.993 121 S CB -0.327 62.901 63.200 0.046 0.000 0.808 121 S HN 0.718 nan 8.310 nan 0.000 0.478 122 Q N -1.049 118.710 119.800 -0.069 0.000 2.219 122 Q HA 0.220 4.560 4.340 -0.001 0.000 0.209 122 Q C 0.611 176.418 176.000 -0.322 0.000 0.854 122 Q CA -0.247 55.461 55.803 -0.158 0.000 0.960 122 Q CB 0.009 28.731 28.738 -0.027 0.000 1.116 122 Q HN 0.500 nan 8.270 nan 0.000 0.500 123 Y N 1.690 121.606 120.300 -0.641 0.000 2.096 123 Y HA -0.294 4.256 4.550 -0.000 0.000 0.278 123 Y C 2.352 177.926 175.900 -0.543 0.000 1.192 123 Y CA 2.256 60.005 58.100 -0.585 0.000 1.143 123 Y CB -0.459 37.658 38.460 -0.572 0.000 0.963 123 Y HN 0.242 nan 8.280 nan 0.000 0.505 124 G N -2.767 105.498 108.800 -0.893 0.000 2.509 124 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.218 124 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.218 124 G C 1.263 176.124 174.900 -0.065 0.000 1.124 124 G CA 0.883 45.855 45.100 -0.213 0.000 0.776 124 G HN 0.585 nan 8.290 nan 0.000 0.547 125 H N -0.333 118.605 119.070 -0.219 0.000 2.497 125 H HA 0.150 4.706 4.556 -0.000 0.000 0.282 125 H C 2.332 177.519 175.328 -0.235 0.000 1.003 125 H CA 0.819 56.680 56.048 -0.312 0.000 1.307 125 H CB 0.268 29.901 29.762 -0.215 0.000 1.437 125 H HN 0.514 nan 8.280 nan 0.000 0.544 126 I N -2.240 118.296 120.570 -0.056 0.000 3.956 126 I HA 0.129 4.299 4.170 -0.001 0.000 0.333 126 I C 0.075 176.132 176.117 -0.101 0.000 1.302 126 I CA -0.424 60.829 61.300 -0.078 0.000 1.122 126 I CB -0.076 37.883 38.000 -0.068 0.000 1.013 126 I HN -0.114 nan 8.210 nan 0.000 0.405 127 F N 3.372 123.178 119.950 -0.240 0.000 2.635 127 F HA 0.071 4.597 4.527 -0.001 0.000 0.379 127 F C 1.118 176.835 175.800 -0.139 0.000 1.094 127 F CA 0.814 58.678 58.000 -0.227 0.000 1.300 127 F CB 0.474 39.370 39.000 -0.173 0.000 1.035 127 F HN 0.069 nan 8.300 nan 0.000 0.581 128 R N 3.251 123.123 120.500 -1.047 0.000 3.059 128 R HA 0.302 4.642 4.340 -0.001 0.000 0.161 128 R C -0.273 175.412 176.300 -1.025 0.000 0.758 128 R CA -0.507 55.136 56.100 -0.762 0.000 1.064 128 R CB 0.582 30.651 30.300 -0.385 0.000 1.538 128 R HN 0.479 nan 8.270 nan 0.000 0.574 129 R N 1.573 121.486 120.500 -0.978 0.000 2.673 129 R HA 0.386 4.726 4.340 -0.001 0.000 0.281 129 R C -2.700 173.403 176.300 -0.328 0.000 0.991 129 R CA -1.747 54.010 56.100 -0.572 0.000 0.896 129 R CB 2.565 32.703 30.300 -0.270 0.000 1.201 129 R HN 0.007 nan 8.270 nan 0.000 0.457 130 P HA 0.237 nan 4.420 nan 0.000 0.277 130 P C -1.354 176.128 177.300 0.304 0.000 1.240 130 P CA -0.426 62.913 63.100 0.398 0.000 0.798 130 P CB 1.216 33.179 31.700 0.439 0.000 0.979 131 K N 1.071 121.707 120.400 0.393 0.000 2.443 131 K HA 0.636 4.956 4.320 -0.001 0.000 0.252 131 K C -0.082 176.635 176.600 0.196 0.000 0.933 131 K CA -0.575 55.867 56.287 0.258 0.000 0.792 131 K CB 2.117 34.713 32.500 0.159 0.000 1.185 131 K HN 0.912 nan 8.250 nan 0.000 0.425 132 G N 1.514 110.445 108.800 0.220 0.000 2.685 132 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.387 132 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.387 132 G C -1.277 173.563 174.900 -0.101 0.000 1.324 132 G CA -1.026 44.015 45.100 -0.098 0.000 0.878 132 G HN 0.427 nan 8.290 nan 0.000 0.527 133 L N -0.354 120.629 121.223 -0.399 0.000 2.309 133 L HA 0.725 5.064 4.340 -0.001 0.000 0.282 133 L C -0.478 176.136 176.870 -0.426 0.000 1.036 133 L CA -0.707 54.008 54.840 -0.208 0.000 0.806 133 L CB 1.153 43.076 42.059 -0.226 0.000 1.220 133 L HN 0.444 nan 8.230 nan 0.000 0.429 134 F N 4.400 124.339 119.950 -0.018 0.000 2.449 134 F HA 0.488 5.015 4.527 -0.000 0.000 0.342 134 F C 0.052 175.816 175.800 -0.060 0.000 1.127 134 F CA -0.390 57.575 58.000 -0.058 0.000 0.975 134 F CB 1.329 40.308 39.000 -0.035 0.000 1.146 134 F HN 0.155 nan 8.300 nan 0.000 0.444 135 I N 3.178 123.758 120.570 0.016 0.000 2.389 135 I HA 0.362 4.532 4.170 -0.001 0.000 0.288 135 I C -0.239 175.875 176.117 -0.004 0.000 0.999 135 I CA -0.469 60.826 61.300 -0.007 0.000 1.129 135 I CB 1.732 39.672 38.000 -0.099 0.000 1.288 135 I HN 0.598 nan 8.210 nan 0.000 0.444 136 S N 5.048 120.767 115.700 0.031 0.000 2.681 136 S HA 0.418 4.887 4.470 -0.001 0.000 0.299 136 S C 0.735 175.363 174.600 0.047 0.000 1.113 136 S CA -0.699 57.519 58.200 0.031 0.000 1.013 136 S CB 2.018 65.233 63.200 0.025 0.000 1.076 136 S HN 0.586 nan 8.310 nan 0.000 0.534 137 I N 1.915 122.520 120.570 0.059 0.000 2.454 137 I HA -0.087 4.083 4.170 -0.001 0.000 0.254 137 I C 2.009 178.171 176.117 0.075 0.000 1.156 137 I CA 1.451 62.798 61.300 0.079 0.000 1.433 137 I CB -0.669 37.389 38.000 0.096 0.000 1.082 137 I HN 0.752 nan 8.210 nan 0.000 0.432 138 S N 0.210 115.948 115.700 0.064 0.000 2.555 138 S HA -0.056 4.413 4.470 -0.001 0.000 0.230 138 S C 1.207 175.860 174.600 0.089 0.000 0.978 138 S CA 0.867 59.107 58.200 0.066 0.000 0.934 138 S CB -0.360 62.868 63.200 0.046 0.000 0.766 138 S HN 0.530 nan 8.310 nan 0.000 0.533 139 D N 1.465 121.922 120.400 0.095 0.000 2.349 139 D HA 0.020 4.660 4.640 -0.001 0.000 0.214 139 D C 0.654 177.049 176.300 0.157 0.000 1.063 139 D CA -0.046 54.035 54.000 0.135 0.000 0.847 139 D CB 0.098 40.960 40.800 0.103 0.000 0.933 139 D HN 0.528 nan 8.370 nan 0.000 0.513 140 R N 0.227 120.793 120.500 0.111 0.000 2.504 140 R HA 0.212 4.552 4.340 -0.001 0.000 0.291 140 R C 0.917 177.221 176.300 0.007 0.000 0.974 140 R CA 1.030 57.169 56.100 0.064 0.000 1.077 140 R CB 0.048 30.383 30.300 0.059 0.000 0.926 140 R HN 0.011 nan 8.270 nan 0.000 0.407 141 G N 2.198 110.949 108.800 -0.082 0.000 2.194 141 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.236 141 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.236 141 G C 0.254 174.835 174.900 -0.533 0.000 0.987 141 G CA 0.197 45.120 45.100 -0.295 0.000 0.635 141 G HN 0.806 nan 8.290 nan 0.000 0.520 142 H N -0.780 118.308 119.070 0.030 0.000 3.007 142 H HA 0.315 4.871 4.556 -0.000 0.000 0.251 142 H C 1.938 177.286 175.328 0.033 0.000 1.188 142 H CA 0.462 56.527 56.048 0.029 0.000 1.017 142 H CB 0.370 30.150 29.762 0.029 0.000 1.805 142 H HN 0.228 nan 8.280 nan 0.000 0.659 143 V N 0.910 120.884 119.914 0.100 0.000 2.392 143 V HA -0.269 3.850 4.120 -0.001 0.000 0.249 143 V C 2.761 178.899 176.094 0.074 0.000 1.059 143 V CA 1.976 64.330 62.300 0.091 0.000 1.051 143 V CB -0.276 31.596 31.823 0.080 0.000 0.658 143 V HN 0.191 nan 8.190 nan 0.000 0.455 144 R N 0.650 121.178 120.500 0.046 0.000 2.096 144 R HA -0.139 4.201 4.340 -0.001 0.000 0.235 144 R C 2.556 178.880 176.300 0.040 0.000 1.127 144 R CA 1.906 58.018 56.100 0.021 0.000 0.968 144 R CB -1.047 29.253 30.300 0.001 0.000 0.861 144 R HN 0.467 nan 8.270 nan 0.000 0.440 145 S N -0.602 115.141 115.700 0.072 0.000 2.382 145 S HA -0.031 4.439 4.470 -0.001 0.000 0.228 145 S C 1.866 176.516 174.600 0.082 0.000 1.027 145 S CA 1.224 59.470 58.200 0.077 0.000 0.991 145 S CB -0.201 63.060 63.200 0.101 0.000 0.823 145 S HN 0.404 nan 8.310 nan 0.000 0.469 146 I N 0.764 121.392 120.570 0.096 0.000 2.202 146 I HA -0.099 4.070 4.170 -0.001 0.000 0.242 146 I C 2.229 178.424 176.117 0.130 0.000 1.091 146 I CA 0.878 62.245 61.300 0.112 0.000 1.368 146 I CB -0.343 37.724 38.000 0.112 0.000 1.058 146 I HN 0.180 nan 8.210 nan 0.000 0.410 147 V N 0.738 120.712 119.914 0.101 0.000 2.490 147 V HA -0.282 3.838 4.120 -0.001 0.000 0.250 147 V C 1.703 177.862 176.094 0.108 0.000 1.061 147 V CA 1.806 64.164 62.300 0.097 0.000 1.064 147 V CB -0.666 31.163 31.823 0.010 0.000 0.670 147 V HN 0.400 nan 8.190 nan 0.000 0.461 148 D N -0.153 120.287 120.400 0.066 0.000 2.347 148 D HA -0.063 4.577 4.640 -0.001 0.000 0.215 148 D C 1.804 178.170 176.300 0.110 0.000 0.976 148 D CA 0.463 54.498 54.000 0.059 0.000 0.884 148 D CB -0.247 40.568 40.800 0.024 0.000 0.915 148 D HN 0.370 nan 8.370 nan 0.000 0.526 149 N N -0.286 118.502 118.700 0.147 0.000 2.416 149 N HA -0.080 4.659 4.740 -0.001 0.000 0.177 149 N C 0.315 175.944 175.510 0.198 0.000 1.036 149 N CA -0.006 53.131 53.050 0.145 0.000 0.901 149 N CB 0.053 38.622 38.487 0.137 0.000 0.976 149 N HN 0.346 nan 8.380 nan 0.000 0.444 150 W N 4.410 125.759 121.300 0.082 0.000 2.322 150 W HA 0.040 4.700 4.660 -0.001 0.000 0.328 150 W C -1.330 175.251 176.519 0.103 0.000 1.395 150 W CA -1.151 56.254 57.345 0.100 0.000 1.267 150 W CB 0.854 30.401 29.460 0.146 0.000 1.259 150 W HN 0.097 nan 8.180 nan 0.000 0.560 151 P HA -0.189 nan 4.420 nan 0.000 0.216 151 P C 0.046 177.244 177.300 -0.171 0.000 1.150 151 P CA 1.498 64.415 63.100 -0.307 0.000 0.837 151 P CB 0.269 31.715 31.700 -0.422 0.000 0.786 152 E N 0.452 120.508 120.200 -0.240 0.000 2.360 152 E HA 0.085 4.434 4.350 -0.001 0.000 0.269 152 E C 1.100 177.899 176.600 0.331 0.000 1.022 152 E CA 0.033 56.489 56.400 0.093 0.000 0.887 152 E CB -0.021 29.797 29.700 0.198 0.000 0.990 152 E HN 0.030 nan 8.360 nan 0.000 0.426 153 N N 1.412 120.272 118.700 0.267 0.000 2.392 153 N HA -0.074 4.666 4.740 -0.001 0.000 0.177 153 N C -0.158 175.612 175.510 0.433 0.000 1.066 153 N CA 0.421 53.683 53.050 0.354 0.000 0.895 153 N CB 0.216 38.821 38.487 0.195 0.000 0.988 153 N HN 0.492 nan 8.380 nan 0.000 0.457 154 H N 0.717 119.873 119.070 0.143 0.000 2.386 154 H HA 0.275 4.831 4.556 -0.001 0.000 0.232 154 H C -0.734 174.520 175.328 -0.122 0.000 1.416 154 H CA -0.346 55.740 56.048 0.064 0.000 1.285 154 H CB 0.297 30.097 29.762 0.063 0.000 1.625 154 H HN -0.256 nan 8.280 nan 0.000 0.521 155 V N 3.058 122.721 119.914 -0.418 0.000 2.655 155 V HA -0.036 4.084 4.120 -0.001 0.000 0.300 155 V C 0.837 176.709 176.094 -0.371 0.000 1.044 155 V CA 0.376 62.316 62.300 -0.601 0.000 1.095 155 V CB 1.317 32.406 31.823 -1.223 0.000 0.952 155 V HN 0.630 nan 8.190 nan 0.000 0.485 156 K N 2.615 122.847 120.400 -0.280 0.000 2.425 156 K HA 0.446 4.766 4.320 -0.001 0.000 0.201 156 K C 0.204 176.754 176.600 -0.083 0.000 1.128 156 K CA 0.478 56.667 56.287 -0.164 0.000 1.000 156 K CB 1.461 33.857 32.500 -0.174 0.000 0.961 156 K HN 0.696 nan 8.250 nan 0.000 0.555 157 A N 1.073 123.818 122.820 -0.125 0.000 2.427 157 A HA 0.642 4.961 4.320 -0.001 0.000 0.298 157 A C -1.028 176.424 177.584 -0.220 0.000 1.036 157 A CA -0.544 51.447 52.037 -0.077 0.000 0.701 157 A CB 1.631 20.666 19.000 0.058 0.000 1.250 157 A HN -0.119 nan 8.150 nan 0.000 0.412 158 V N 2.195 121.997 119.914 -0.188 0.000 2.656 158 V HA 0.600 4.720 4.120 -0.001 0.000 0.307 158 V C -0.615 175.331 176.094 -0.246 0.000 1.051 158 V CA -0.584 61.569 62.300 -0.245 0.000 0.893 158 V CB 1.878 33.586 31.823 -0.192 0.000 0.999 158 V HN 0.698 nan 8.190 nan 0.000 0.426 159 V N 5.059 124.789 119.914 -0.306 0.000 2.407 159 V HA 0.555 4.675 4.120 -0.001 0.000 0.291 159 V C -0.392 175.528 176.094 -0.290 0.000 1.018 159 V CA -0.547 61.575 62.300 -0.297 0.000 0.842 159 V CB 1.843 33.468 31.823 -0.331 0.000 0.996 159 V HN 0.635 nan 8.190 nan 0.000 0.426 160 V N 4.717 124.454 119.914 -0.296 0.000 2.769 160 V HA 0.900 5.019 4.120 -0.001 0.000 0.312 160 V C -0.343 175.652 176.094 -0.165 0.000 1.061 160 V CA 0.171 62.279 62.300 -0.320 0.000 0.931 160 V CB 2.503 34.062 31.823 -0.440 0.000 1.010 160 V HN 0.962 nan 8.190 nan 0.000 0.433 161 T N 2.442 116.838 114.554 -0.263 0.000 2.868 161 T HA 0.441 4.791 4.350 -0.001 0.000 0.306 161 T C -0.601 173.705 174.700 -0.656 0.000 1.224 161 T CA 0.159 62.002 62.100 -0.427 0.000 1.012 161 T CB 1.739 70.424 68.868 -0.305 0.000 1.221 161 T HN 0.941 nan 8.240 nan 0.000 0.499 162 D N 0.451 120.251 120.400 -1.001 0.000 2.433 162 D HA 0.240 4.880 4.640 -0.001 0.000 0.211 162 D C 1.377 177.462 176.300 -0.358 0.000 1.114 162 D CA 0.621 54.271 54.000 -0.582 0.000 0.837 162 D CB -0.274 40.224 40.800 -0.503 0.000 0.984 162 D HN 1.092 nan 8.370 nan 0.000 0.505 163 G N 1.396 109.983 108.800 -0.355 0.000 2.203 163 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.263 163 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.263 163 G C 0.693 175.500 174.900 -0.155 0.000 1.012 163 G CA 0.722 45.698 45.100 -0.206 0.000 0.749 163 G HN 0.519 nan 8.290 nan 0.000 0.512 164 E N -0.460 119.635 120.200 -0.175 0.000 2.299 164 E HA 0.084 4.434 4.350 -0.001 0.000 0.193 164 E C 1.569 178.130 176.600 -0.065 0.000 0.998 164 E CA 0.341 56.678 56.400 -0.105 0.000 0.851 164 E CB 0.103 29.751 29.700 -0.085 0.000 0.795 164 E HN 0.417 nan 8.360 nan 0.000 0.492 165 R N 1.319 121.782 120.500 -0.062 0.000 2.644 165 R HA 0.193 4.532 4.340 -0.001 0.000 0.271 165 R C -1.147 175.129 176.300 -0.039 0.000 1.687 165 R CA -0.480 55.602 56.100 -0.030 0.000 1.655 165 R CB 0.260 30.564 30.300 0.007 0.000 1.285 165 R HN 0.068 nan 8.270 nan 0.000 0.643 166 I N 5.893 126.432 120.570 -0.052 0.000 2.347 166 I HA 0.073 4.243 4.170 -0.001 0.000 0.294 166 I C 1.492 177.581 176.117 -0.047 0.000 1.090 166 I CA 0.278 61.544 61.300 -0.057 0.000 1.314 166 I CB -0.287 37.676 38.000 -0.062 0.000 1.423 166 I HN 0.695 nan 8.210 nan 0.000 0.503 167 L N 5.128 126.324 121.223 -0.045 0.000 6.032 167 L HA -0.315 4.025 4.340 -0.001 0.000 0.053 167 L C 1.421 178.269 176.870 -0.037 0.000 2.286 167 L CA 1.466 56.277 54.840 -0.048 0.000 1.682 167 L CB -1.482 40.532 42.059 -0.073 0.000 2.737 167 L HN 0.710 nan 8.230 nan 0.000 0.986 168 G N -1.261 107.515 108.800 -0.041 0.000 3.502 168 G HA2 0.416 4.375 3.960 -0.001 0.000 0.267 168 G HA3 0.416 4.375 3.960 -0.001 0.000 0.267 168 G C 0.652 175.533 174.900 -0.031 0.000 1.090 168 G CA -0.151 44.930 45.100 -0.032 0.000 0.795 168 G HN 0.193 nan 8.290 nan 0.000 0.535 169 L N 0.360 121.563 121.223 -0.034 0.000 2.418 169 L HA 0.349 4.689 4.340 -0.001 0.000 0.218 169 L C 1.757 178.610 176.870 -0.028 0.000 1.125 169 L CA 0.948 55.771 54.840 -0.029 0.000 0.835 169 L CB -0.842 41.199 42.059 -0.029 0.000 0.953 169 L HN 0.413 nan 8.230 nan 0.000 0.454 170 G N -0.637 108.145 108.800 -0.031 0.000 2.545 170 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.216 170 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.216 170 G C -0.562 174.312 174.900 -0.044 0.000 1.314 170 G CA -0.190 44.890 45.100 -0.033 0.000 0.906 170 G HN 0.145 nan 8.290 nan 0.000 0.563 171 D N 0.851 121.219 120.400 -0.053 0.000 2.338 171 D HA 0.414 5.054 4.640 -0.001 0.000 0.255 171 D C 1.346 177.601 176.300 -0.074 0.000 1.237 171 D CA -0.032 53.926 54.000 -0.070 0.000 0.883 171 D CB 0.333 41.085 40.800 -0.080 0.000 1.087 171 D HN 0.415 nan 8.370 nan 0.000 0.485 172 L N 3.203 124.391 121.223 -0.059 0.000 2.906 172 L HA 0.287 4.627 4.340 -0.001 0.000 0.255 172 L C 1.630 178.501 176.870 0.001 0.000 1.166 172 L CA -0.041 54.783 54.840 -0.026 0.000 0.977 172 L CB -0.092 41.986 42.059 0.033 0.000 1.313 172 L HN 0.662 nan 8.230 nan 0.000 0.549 173 G N 0.778 109.563 108.800 -0.025 0.000 2.594 173 G HA2 -0.358 3.602 3.960 -0.001 0.000 0.297 173 G HA3 -0.358 3.602 3.960 -0.001 0.000 0.297 173 G C 0.808 175.740 174.900 0.054 0.000 1.273 173 G CA 0.189 45.314 45.100 0.043 0.000 0.974 173 G HN -0.096 nan 8.290 nan 0.000 0.552 174 V N 0.497 120.451 119.914 0.068 0.000 2.828 174 V HA -0.160 3.960 4.120 -0.001 0.000 0.260 174 V C 2.267 178.436 176.094 0.126 0.000 1.101 174 V CA 2.574 64.885 62.300 0.019 0.000 1.123 174 V CB -0.882 30.861 31.823 -0.133 0.000 0.704 174 V HN 0.543 nan 8.190 nan 0.000 0.493 175 Y N 0.602 120.896 120.300 -0.009 0.000 2.569 175 Y HA 0.004 4.554 4.550 -0.001 0.000 0.293 175 Y C 1.909 177.612 175.900 -0.328 0.000 1.144 175 Y CA -0.201 57.853 58.100 -0.077 0.000 1.321 175 Y CB -0.070 38.432 38.460 0.070 0.000 0.982 175 Y HN 0.442 nan 8.280 nan 0.000 0.558 179 I N 1.994 122.507 120.570 -0.094 0.000 2.133 179 I HA -0.008 4.162 4.170 -0.001 0.000 0.238 179 I C -0.193 175.904 176.117 -0.033 0.000 1.074 179 I CA 1.309 62.590 61.300 -0.032 0.000 1.342 179 I CB -1.714 36.243 38.000 -0.071 0.000 1.053 179 I HN 0.022 nan 8.210 nan 0.000 0.404 180 P HA -0.090 nan 4.420 nan 0.000 0.215 180 P C 2.244 179.480 177.300 -0.107 0.000 1.153 180 P CA 1.072 64.081 63.100 -0.151 0.000 0.853 180 P CB 0.057 31.625 31.700 -0.220 0.000 0.788 181 V N -0.031 119.852 119.914 -0.052 0.000 2.295 181 V HA -0.200 3.920 4.120 -0.001 0.000 0.246 181 V C 2.576 178.713 176.094 0.070 0.000 1.049 181 V CA 2.580 64.886 62.300 0.010 0.000 1.024 181 V CB -1.866 30.005 31.823 0.079 0.000 0.648 181 V HN 0.185 nan 8.190 nan 0.000 0.447 182 G N -0.302 108.573 108.800 0.126 0.000 2.421 182 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.216 182 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.216 182 G C 1.653 176.655 174.900 0.171 0.000 1.171 182 G CA 0.602 45.822 45.100 0.201 0.000 0.775 182 G HN 0.355 nan 8.290 nan 0.000 0.543 183 K N 0.372 120.839 120.400 0.112 0.000 2.020 183 K HA 0.000 4.320 4.320 -0.001 0.000 0.212 183 K C 2.527 179.227 176.600 0.167 0.000 1.050 183 K CA 0.772 57.108 56.287 0.082 0.000 0.929 183 K CB -0.827 31.582 32.500 -0.153 0.000 0.714 183 K HN 0.342 nan 8.250 nan 0.000 0.443 184 L N 0.524 121.733 121.223 -0.024 0.000 2.191 184 L HA -0.213 4.127 4.340 -0.001 0.000 0.212 184 L C 2.637 179.588 176.870 0.134 0.000 1.103 184 L CA 0.729 55.507 54.840 -0.102 0.000 0.769 184 L CB -0.437 41.482 42.059 -0.234 0.000 0.908 184 L HN 0.187 nan 8.230 nan 0.000 0.438 185 C N -0.282 119.142 119.300 0.206 0.000 2.425 185 C HA -0.134 4.325 4.460 -0.001 0.000 0.277 185 C C 2.650 177.816 174.990 0.293 0.000 1.280 185 C CA 0.472 59.697 59.018 0.346 0.000 1.744 185 C CB -0.750 27.181 27.740 0.320 0.000 1.989 185 C HN 0.452 nan 8.230 nan 0.000 0.491 186 L N -1.278 120.086 121.223 0.235 0.000 2.217 186 L HA -0.092 4.247 4.340 -0.001 0.000 0.211 186 L C 2.423 179.417 176.870 0.207 0.000 1.107 186 L CA 1.146 56.080 54.840 0.156 0.000 0.783 186 L CB -0.641 41.478 42.059 0.100 0.000 0.919 186 L HN 0.283 nan 8.230 nan 0.000 0.442 187 Y N 0.771 121.148 120.300 0.129 0.000 2.128 187 Y HA -0.283 4.266 4.550 -0.001 0.000 0.284 187 Y C 2.839 178.717 175.900 -0.037 0.000 1.154 187 Y CA 1.986 60.133 58.100 0.079 0.000 1.149 187 Y CB -0.789 37.712 38.460 0.068 0.000 0.976 187 Y HN 0.117 nan 8.280 nan 0.000 0.505 188 T N -0.562 114.040 114.554 0.080 0.000 2.770 188 T HA -0.088 4.262 4.350 -0.001 0.000 0.258 188 T C 2.203 176.849 174.700 -0.091 0.000 1.039 188 T CA 1.229 63.224 62.100 -0.175 0.000 1.143 188 T CB -0.744 67.714 68.868 -0.685 0.000 0.866 188 T HN 0.364 nan 8.240 nan 0.000 0.428 189 A N 0.472 123.317 122.820 0.040 0.000 1.940 189 A HA -0.138 4.182 4.320 -0.001 0.000 0.219 189 A C 2.572 180.150 177.584 -0.010 0.000 1.176 189 A CA 1.722 53.806 52.037 0.078 0.000 0.631 189 A CB -1.159 17.889 19.000 0.081 0.000 0.814 189 A HN 0.654 nan 8.150 nan 0.000 0.446 190 C N -2.449 116.822 119.300 -0.049 0.000 2.518 190 C HA 0.495 4.955 4.460 -0.001 0.000 0.283 190 C C 2.765 177.696 174.990 -0.097 0.000 1.351 190 C CA 0.461 59.414 59.018 -0.107 0.000 1.745 190 C CB -0.481 27.140 27.740 -0.198 0.000 2.107 190 C HN 0.688 nan 8.230 nan 0.000 0.502 191 A N -0.589 122.179 122.820 -0.086 0.000 2.431 191 A HA 0.513 4.833 4.320 -0.001 0.000 0.239 191 A C 1.534 179.095 177.584 -0.039 0.000 1.230 191 A CA 1.000 52.988 52.037 -0.082 0.000 0.928 191 A CB -0.453 18.470 19.000 -0.130 0.000 1.006 191 A HN 1.156 nan 8.150 nan 0.000 0.520 192 G N 0.020 108.816 108.800 -0.008 0.000 2.160 192 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.251 192 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.251 192 G C 0.075 175.005 174.900 0.050 0.000 1.008 192 G CA 0.334 45.469 45.100 0.058 0.000 0.724 192 G HN 0.485 nan 8.290 nan 0.000 0.514 193 I N 0.660 121.220 120.570 -0.016 0.000 2.496 193 I HA 0.168 4.338 4.170 -0.001 0.000 0.285 193 I C 1.398 177.409 176.117 -0.177 0.000 1.080 193 I CA -0.532 60.751 61.300 -0.028 0.000 1.404 193 I CB 0.539 38.584 38.000 0.076 0.000 1.403 193 I HN 0.087 nan 8.210 nan 0.000 0.539 194 R N 7.436 127.822 120.500 -0.190 0.000 2.480 194 R HA 0.003 4.342 4.340 -0.001 0.000 0.303 194 R C -1.594 174.421 176.300 -0.475 0.000 0.985 194 R CA -1.021 54.818 56.100 -0.436 0.000 1.051 194 R CB 0.012 30.192 30.300 -0.199 0.000 0.935 194 R HN 0.402 nan 8.270 nan 0.000 0.410 195 P HA -0.229 nan 4.420 nan 0.000 0.216 195 P C 0.537 177.702 177.300 -0.225 0.000 1.153 195 P CA 1.355 64.174 63.100 -0.469 0.000 0.858 195 P CB 0.121 31.475 31.700 -0.577 0.000 0.789 196 D N -1.017 119.260 120.400 -0.206 0.000 2.378 196 D HA -0.142 4.497 4.640 -0.001 0.000 0.222 196 D C 1.179 177.454 176.300 -0.042 0.000 0.980 196 D CA 0.723 54.684 54.000 -0.065 0.000 0.907 196 D CB -0.569 40.212 40.800 -0.031 0.000 0.899 196 D HN 0.247 nan 8.370 nan 0.000 0.527 197 R N -0.641 119.787 120.500 -0.120 0.000 2.546 197 R HA 0.281 4.621 4.340 -0.001 0.000 0.320 197 R C -0.373 175.820 176.300 -0.179 0.000 1.021 197 R CA -0.301 55.707 56.100 -0.153 0.000 1.088 197 R CB 0.540 30.721 30.300 -0.199 0.000 1.278 197 R HN 0.080 nan 8.270 nan 0.000 0.557 198 C N 1.115 120.323 119.300 -0.153 0.000 2.411 198 C HA 0.558 5.018 4.460 -0.001 0.000 0.330 198 C C -0.652 174.204 174.990 -0.224 0.000 1.224 198 C CA -0.973 57.914 59.018 -0.218 0.000 1.770 198 C CB 1.275 28.876 27.740 -0.230 0.000 2.297 198 C HN 0.286 nan 8.230 nan 0.000 0.507 199 L N 6.286 127.289 121.223 -0.366 0.000 2.457 199 L HA 0.589 4.929 4.340 -0.001 0.000 0.266 199 L C -2.619 173.955 176.870 -0.492 0.000 0.979 199 L CA -1.796 52.712 54.840 -0.553 0.000 0.857 199 L CB 1.682 43.306 42.059 -0.726 0.000 1.213 199 L HN 0.436 nan 8.230 nan 0.000 0.418 200 P HA 0.336 nan 4.420 nan 0.000 0.286 200 P C -1.258 175.770 177.300 -0.453 0.000 1.269 200 P CA -0.239 62.635 63.100 -0.377 0.000 0.787 200 P CB 1.930 33.472 31.700 -0.263 0.000 0.920 201 V N 3.677 123.340 119.914 -0.419 0.000 2.709 201 V HA 0.332 4.452 4.120 -0.001 0.000 0.308 201 V C -0.117 175.689 176.094 -0.480 0.000 1.062 201 V CA -0.534 61.486 62.300 -0.466 0.000 0.901 201 V CB 2.355 33.934 31.823 -0.405 0.000 1.003 201 V HN 0.729 nan 8.190 nan 0.000 0.425 202 C N 6.712 125.696 119.300 -0.525 0.000 2.319 202 C HA 0.644 5.104 4.460 -0.001 0.000 0.323 202 C C -0.445 174.350 174.990 -0.325 0.000 1.277 202 C CA -0.547 58.226 59.018 -0.409 0.000 1.517 202 C CB -0.206 27.315 27.740 -0.364 0.000 2.206 202 C HN 0.722 nan 8.230 nan 0.000 0.486 203 I N 5.466 125.842 120.570 -0.324 0.000 2.312 203 I HA 0.276 4.445 4.170 -0.001 0.000 0.291 203 I C 0.026 176.076 176.117 -0.112 0.000 1.031 203 I CA 0.448 61.601 61.300 -0.245 0.000 1.293 203 I CB 1.069 38.916 38.000 -0.254 0.000 1.403 203 I HN 0.681 nan 8.210 nan 0.000 0.484 204 D N 6.696 127.070 120.400 -0.043 0.000 2.427 204 D HA 0.302 4.941 4.640 -0.001 0.000 0.226 204 D C 0.465 176.782 176.300 0.029 0.000 1.076 204 D CA -0.328 53.669 54.000 -0.006 0.000 0.849 204 D CB 1.178 41.978 40.800 -0.000 0.000 1.052 204 D HN 0.325 nan 8.370 nan 0.000 0.515 205 V N 1.627 121.568 119.914 0.045 0.000 3.159 205 V HA 0.731 4.851 4.120 -0.001 0.000 0.333 205 V C 0.785 176.891 176.094 0.020 0.000 1.424 205 V CA 0.370 62.711 62.300 0.069 0.000 1.125 205 V CB -0.246 31.671 31.823 0.156 0.000 1.075 205 V HN 0.689 nan 8.190 nan 0.000 0.482 206 G N -0.143 108.663 108.800 0.010 0.000 2.498 206 G HA2 0.271 4.231 3.960 -0.001 0.000 0.651 206 G HA3 0.271 4.231 3.960 -0.001 0.000 0.651 206 G C -0.461 174.419 174.900 -0.032 0.000 1.284 206 G CA 0.014 45.114 45.100 -0.001 0.000 0.950 206 G HN 1.288 nan 8.290 nan 0.000 0.511 207 T N -1.293 113.218 114.554 -0.072 0.000 2.932 207 T HA 0.575 4.925 4.350 -0.001 0.000 0.318 207 T C -0.606 174.015 174.700 -0.132 0.000 1.265 207 T CA 0.229 62.256 62.100 -0.122 0.000 1.036 207 T CB 1.721 70.466 68.868 -0.204 0.000 1.209 207 T HN 0.419 nan 8.240 nan 0.000 0.484 208 D N 2.010 122.339 120.400 -0.119 0.000 2.349 208 D HA 0.108 4.748 4.640 -0.001 0.000 0.214 208 D C 0.407 176.639 176.300 -0.112 0.000 1.063 208 D CA 0.046 53.986 54.000 -0.100 0.000 0.847 208 D CB 0.182 40.936 40.800 -0.078 0.000 0.933 208 D HN 0.413 nan 8.370 nan 0.000 0.513 209 N N 2.056 120.664 118.700 -0.154 0.000 2.400 209 N HA -0.035 4.705 4.740 -0.001 0.000 0.267 209 N C 1.230 176.637 175.510 -0.171 0.000 1.208 209 N CA -0.131 52.824 53.050 -0.159 0.000 0.951 209 N CB 0.379 38.745 38.487 -0.202 0.000 1.227 209 N HN -0.074 nan 8.380 nan 0.000 0.488 210 I N 2.703 123.205 120.570 -0.114 0.000 2.264 210 I HA -0.257 3.912 4.170 -0.001 0.000 0.248 210 I C 2.083 178.142 176.117 -0.098 0.000 1.111 210 I CA 0.941 62.185 61.300 -0.094 0.000 1.382 210 I CB -1.445 36.519 38.000 -0.061 0.000 1.060 210 I HN 0.557 nan 8.210 nan 0.000 0.418 211 A N 0.835 123.599 122.820 -0.093 0.000 1.902 211 A HA -0.162 4.157 4.320 -0.001 0.000 0.217 211 A C 2.366 179.884 177.584 -0.110 0.000 1.181 211 A CA 1.312 53.306 52.037 -0.071 0.000 0.623 211 A CB -0.784 18.190 19.000 -0.044 0.000 0.818 211 A HN 0.424 nan 8.150 nan 0.000 0.443 212 L N -0.760 120.323 121.223 -0.234 0.000 2.217 212 L HA -0.063 4.277 4.340 -0.001 0.000 0.211 212 L C 2.213 178.849 176.870 -0.391 0.000 1.107 212 L CA 0.508 55.090 54.840 -0.431 0.000 0.783 212 L CB -0.415 41.136 42.059 -0.848 0.000 0.919 212 L HN 0.340 nan 8.230 nan 0.000 0.442 213 L N 0.471 121.538 121.223 -0.260 0.000 2.456 213 L HA -0.151 4.189 4.340 -0.001 0.000 0.224 213 L C 2.139 179.045 176.870 0.060 0.000 1.148 213 L CA 1.052 55.868 54.840 -0.040 0.000 0.825 213 L CB -0.242 41.782 42.059 -0.058 0.000 0.937 213 L HN 0.403 nan 8.230 nan 0.000 0.450 214 K N -1.972 118.426 120.400 -0.004 0.000 2.387 214 K HA 0.115 4.434 4.320 -0.001 0.000 0.203 214 K C 0.077 176.686 176.600 0.015 0.000 1.030 214 K CA -0.311 55.963 56.287 -0.022 0.000 1.099 214 K CB 0.379 32.858 32.500 -0.035 0.000 0.863 214 K HN -0.095 nan 8.250 nan 0.000 0.529 215 D N 3.462 123.914 120.400 0.087 0.000 2.316 215 D HA 0.100 4.740 4.640 -0.001 0.000 0.245 215 D C -1.434 174.977 176.300 0.184 0.000 1.171 215 D CA -2.129 51.954 54.000 0.139 0.000 0.856 215 D CB 1.808 42.711 40.800 0.172 0.000 1.090 215 D HN 0.016 nan 8.370 nan 0.000 0.476 216 P HA -0.078 nan 4.420 nan 0.000 0.226 216 P C 0.873 178.103 177.300 -0.117 0.000 1.153 216 P CA 0.557 63.562 63.100 -0.158 0.000 0.777 216 P CB 0.058 31.504 31.700 -0.424 0.000 0.794 217 F N -2.249 117.865 119.950 0.273 0.000 2.727 217 F HA 0.199 4.725 4.527 -0.001 0.000 0.302 217 F C 1.655 177.632 175.800 0.294 0.000 1.097 217 F CA -1.201 56.956 58.000 0.262 0.000 1.330 217 F CB -1.131 38.066 39.000 0.328 0.000 1.084 217 F HN -0.147 nan 8.300 nan 0.000 0.578 221 L N 0.480 121.599 121.223 -0.174 0.000 2.455 221 L HA 0.318 4.658 4.340 -0.001 0.000 0.272 221 L C -0.159 176.691 176.870 -0.033 0.000 1.174 221 L CA -0.115 54.680 54.840 -0.075 0.000 0.869 221 L CB 0.053 42.108 42.059 -0.006 0.000 1.130 221 L HN 0.473 nan 8.230 nan 0.000 0.474 222 Y N 4.204 124.557 120.300 0.090 0.000 2.570 222 Y HA 0.293 4.842 4.550 -0.000 0.000 0.336 222 Y C 0.500 176.407 175.900 0.010 0.000 1.284 222 Y CA -0.198 57.936 58.100 0.056 0.000 1.761 222 Y CB -0.219 38.259 38.460 0.031 0.000 1.724 222 Y HN 0.588 nan 8.280 nan 0.000 0.455 223 Q N -0.235 119.623 119.800 0.097 0.000 2.575 223 Q HA 0.472 4.812 4.340 -0.001 0.000 0.290 223 Q C -1.358 174.644 176.000 0.003 0.000 0.963 223 Q CA -1.492 54.342 55.803 0.050 0.000 0.783 223 Q CB 1.457 30.223 28.738 0.047 0.000 1.467 223 Q HN -0.016 nan 8.270 nan 0.000 0.402 224 K N 1.095 121.489 120.400 -0.009 0.000 2.219 224 K HA 0.238 4.558 4.320 -0.001 0.000 0.258 224 K C -0.192 176.386 176.600 -0.037 0.000 1.008 224 K CA -0.400 55.867 56.287 -0.033 0.000 0.928 224 K CB 0.491 32.974 32.500 -0.030 0.000 0.983 224 K HN 0.587 nan 8.250 nan 0.000 0.484 225 R N 1.777 122.240 120.500 -0.061 0.000 2.484 225 R HA -0.083 4.257 4.340 -0.001 0.000 0.293 225 R C -0.027 176.229 176.300 -0.074 0.000 1.023 225 R CA 0.247 56.298 56.100 -0.081 0.000 1.037 225 R CB 0.266 30.494 30.300 -0.120 0.000 0.951 225 R HN 0.449 nan 8.270 nan 0.000 0.418 226 D N 3.844 124.210 120.400 -0.056 0.000 2.336 226 D HA 0.023 4.662 4.640 -0.001 0.000 0.249 226 D C -0.053 176.207 176.300 -0.066 0.000 1.213 226 D CA 0.127 54.118 54.000 -0.015 0.000 0.870 226 D CB 0.661 41.494 40.800 0.054 0.000 1.076 226 D HN 0.518 nan 8.370 nan 0.000 0.483 227 R N 2.056 122.528 120.500 -0.047 0.000 2.507 227 R HA 0.114 4.454 4.340 -0.001 0.000 0.298 227 R C 0.842 177.180 176.300 0.065 0.000 0.999 227 R CA -0.279 55.791 56.100 -0.050 0.000 1.082 227 R CB 0.567 30.828 30.300 -0.065 0.000 1.246 227 R HN 0.443 nan 8.270 nan 0.000 0.553 228 T N -2.614 112.001 114.554 0.102 0.000 2.814 228 T HA -0.010 4.339 4.350 -0.001 0.000 0.284 228 T C 1.204 176.017 174.700 0.190 0.000 0.998 228 T CA -0.691 61.481 62.100 0.121 0.000 0.935 228 T CB 1.255 70.178 68.868 0.092 0.000 1.167 228 T HN -0.071 nan 8.240 nan 0.000 0.545 229 Q N -0.194 119.699 119.800 0.154 0.000 2.368 229 Q HA -0.188 4.152 4.340 -0.001 0.000 0.210 229 Q C 2.007 178.110 176.000 0.173 0.000 0.982 229 Q CA 1.502 57.404 55.803 0.164 0.000 0.884 229 Q CB -0.342 28.465 28.738 0.115 0.000 0.933 229 Q HN 0.798 nan 8.270 nan 0.000 0.460 230 Q N -0.935 118.963 119.800 0.164 0.000 2.170 230 Q HA -0.193 4.147 4.340 -0.001 0.000 0.203 230 Q C 1.694 177.817 176.000 0.206 0.000 0.976 230 Q CA 1.417 57.311 55.803 0.152 0.000 0.858 230 Q CB -0.153 28.663 28.738 0.129 0.000 0.907 230 Q HN 0.462 nan 8.270 nan 0.000 0.433 231 Y N 1.885 122.263 120.300 0.131 0.000 2.133 231 Y HA -0.212 4.338 4.550 -0.000 0.000 0.287 231 Y C 1.415 177.450 175.900 0.225 0.000 1.134 231 Y CA 1.955 60.158 58.100 0.172 0.000 1.133 231 Y CB -0.235 38.344 38.460 0.199 0.000 0.987 231 Y HN 0.084 nan 8.280 nan 0.000 0.502 232 D N -0.040 120.480 120.400 0.201 0.000 2.149 232 D HA -0.173 4.467 4.640 -0.001 0.000 0.198 232 D C 1.763 178.103 176.300 0.067 0.000 0.990 232 D CA 1.775 55.862 54.000 0.145 0.000 0.839 232 D CB -0.486 40.469 40.800 0.259 0.000 0.948 232 D HN 0.500 nan 8.370 nan 0.000 0.460 233 D N -0.515 119.938 120.400 0.088 0.000 2.117 233 D HA -0.121 4.518 4.640 -0.001 0.000 0.197 233 D C 1.887 178.210 176.300 0.038 0.000 0.987 233 D CA 0.440 54.481 54.000 0.068 0.000 0.829 233 D CB -0.083 40.760 40.800 0.073 0.000 0.961 233 D HN 0.077 nan 8.370 nan 0.000 0.460 234 L N 0.261 121.499 121.223 0.025 0.000 2.017 234 L HA -0.114 4.226 4.340 -0.001 0.000 0.208 234 L C 1.992 178.847 176.870 -0.024 0.000 1.073 234 L CA 1.422 56.268 54.840 0.010 0.000 0.745 234 L CB -0.495 41.579 42.059 0.025 0.000 0.894 234 L HN 0.117 nan 8.230 nan 0.000 0.432 235 I N -0.287 120.205 120.570 -0.129 0.000 2.226 235 I HA -0.260 3.909 4.170 -0.001 0.000 0.245 235 I C 2.233 178.316 176.117 -0.058 0.000 1.100 235 I CA 1.232 62.431 61.300 -0.168 0.000 1.374 235 I CB -1.574 36.115 38.000 -0.519 0.000 1.057 235 I HN 0.324 nan 8.210 nan 0.000 0.413 236 D N 0.675 121.081 120.400 0.009 0.000 2.097 236 D HA -0.209 4.430 4.640 -0.001 0.000 0.195 236 D C 2.160 178.468 176.300 0.014 0.000 0.989 236 D CA 1.162 55.211 54.000 0.081 0.000 0.827 236 D CB -0.077 40.798 40.800 0.125 0.000 0.966 236 D HN 0.397 nan 8.370 nan 0.000 0.456 237 E N -0.775 119.440 120.200 0.025 0.000 2.085 237 E HA -0.159 4.191 4.350 -0.001 0.000 0.194 237 E C 0.964 177.563 176.600 -0.001 0.000 0.994 237 E CA 0.143 56.552 56.400 0.016 0.000 0.801 237 E CB -0.063 29.654 29.700 0.029 0.000 0.743 237 E HN 0.122 nan 8.360 nan 0.000 0.453 241 A N 1.956 124.678 122.820 -0.164 0.000 1.933 241 A HA -0.042 4.277 4.320 -0.001 0.000 0.218 241 A C 1.894 179.359 177.584 -0.198 0.000 1.175 241 A CA 1.290 53.244 52.037 -0.137 0.000 0.628 241 A CB -0.394 18.559 19.000 -0.078 0.000 0.814 241 A HN 0.313 nan 8.150 nan 0.000 0.444 242 I N 0.812 121.186 120.570 -0.327 0.000 2.142 242 I HA -0.195 3.974 4.170 -0.001 0.000 0.240 242 I C 2.839 178.866 176.117 -0.151 0.000 1.078 242 I CA 2.354 63.483 61.300 -0.286 0.000 1.343 242 I CB -1.635 36.026 38.000 -0.564 0.000 1.046 242 I HN 0.556 nan 8.210 nan 0.000 0.405 243 T N -2.102 112.356 114.554 -0.160 0.000 2.915 243 T HA -0.125 4.225 4.350 -0.001 0.000 0.269 243 T C 1.551 176.244 174.700 -0.012 0.000 1.071 243 T CA 1.071 63.161 62.100 -0.017 0.000 1.132 243 T CB -0.318 68.616 68.868 0.110 0.000 0.878 243 T HN 0.129 nan 8.240 nan 0.000 0.479 244 D N 1.344 121.711 120.400 -0.054 0.000 2.117 244 D HA -0.045 4.595 4.640 -0.001 0.000 0.197 244 D C 2.259 178.500 176.300 -0.099 0.000 0.987 244 D CA 1.016 54.983 54.000 -0.056 0.000 0.829 244 D CB -0.261 40.503 40.800 -0.060 0.000 0.961 244 D HN 0.472 nan 8.370 nan 0.000 0.460 245 R N -0.940 119.438 120.500 -0.203 0.000 2.075 245 R HA -0.044 4.295 4.340 -0.001 0.000 0.226 245 R C 1.656 177.756 176.300 -0.333 0.000 1.114 245 R CA 0.923 56.808 56.100 -0.358 0.000 0.972 245 R CB -0.093 29.810 30.300 -0.662 0.000 0.869 245 R HN 0.271 nan 8.270 nan 0.000 0.437 246 Y N -0.730 119.576 120.300 0.009 0.000 2.458 246 Y HA 0.355 4.905 4.550 -0.001 0.000 0.254 246 Y C 0.621 176.551 175.900 0.050 0.000 1.120 246 Y CA -0.052 58.072 58.100 0.041 0.000 1.282 246 Y CB 1.450 39.925 38.460 0.024 0.000 1.109 246 Y HN 0.346 nan 8.280 nan 0.000 0.526 247 G N 0.264 109.151 108.800 0.144 0.000 2.592 247 G HA2 -0.127 3.832 3.960 -0.001 0.000 0.685 247 G HA3 -0.127 3.832 3.960 -0.001 0.000 0.685 247 G C -0.098 174.855 174.900 0.089 0.000 1.278 247 G CA -0.851 44.313 45.100 0.106 0.000 0.822 247 G HN 0.018 nan 8.290 nan 0.000 0.652 248 R N 0.544 121.082 120.500 0.063 0.000 2.152 248 R HA -0.117 4.223 4.340 -0.001 0.000 0.232 248 R C 2.091 178.424 176.300 0.056 0.000 1.117 248 R CA 1.821 57.960 56.100 0.065 0.000 0.981 248 R CB -0.112 30.190 30.300 0.002 0.000 0.870 248 R HN 0.676 nan 8.270 nan 0.000 0.451 249 N N -0.715 118.005 118.700 0.034 0.000 2.313 249 N HA -0.031 4.709 4.740 -0.001 0.000 0.207 249 N C -0.610 174.934 175.510 0.057 0.000 1.141 249 N CA -0.004 53.059 53.050 0.022 0.000 0.830 249 N CB 0.056 38.547 38.487 0.007 0.000 1.008 249 N HN -0.245 nan 8.380 nan 0.000 0.481 250 T N 1.695 116.290 114.554 0.068 0.000 2.829 250 T HA -0.009 4.341 4.350 -0.001 0.000 0.293 250 T C 0.336 175.065 174.700 0.049 0.000 0.970 250 T CA -0.308 61.821 62.100 0.048 0.000 1.168 250 T CB 0.307 69.196 68.868 0.035 0.000 0.911 250 T HN 0.301 nan 8.240 nan 0.000 0.535 251 L N 5.643 126.907 121.223 0.068 0.000 2.477 251 L HA 0.314 4.654 4.340 -0.001 0.000 0.272 251 L C -0.413 176.509 176.870 0.086 0.000 1.157 251 L CA 0.052 54.972 54.840 0.134 0.000 0.889 251 L CB 0.098 42.279 42.059 0.204 0.000 1.158 251 L HN 0.641 nan 8.230 nan 0.000 0.473 252 I N 5.697 126.325 120.570 0.095 0.000 2.390 252 I HA 0.222 4.391 4.170 -0.001 0.000 0.283 252 I C -0.234 175.886 176.117 0.005 0.000 1.016 252 I CA -0.327 60.975 61.300 0.002 0.000 1.151 252 I CB 1.667 39.633 38.000 -0.057 0.000 1.293 252 I HN 0.599 nan 8.210 nan 0.000 0.458 253 Q N 6.129 125.848 119.800 -0.135 0.000 2.360 253 Q HA 0.387 4.726 4.340 -0.001 0.000 0.254 253 Q C -1.336 174.497 176.000 -0.278 0.000 0.975 253 Q CA -0.683 54.880 55.803 -0.401 0.000 0.912 253 Q CB 0.928 29.439 28.738 -0.378 0.000 1.212 253 Q HN 0.415 nan 8.270 nan 0.000 0.452 254 F N 2.848 122.556 119.950 -0.403 0.000 2.438 254 F HA 0.236 4.763 4.527 -0.001 0.000 0.356 254 F C 0.369 176.091 175.800 -0.131 0.000 1.099 254 F CA -0.139 57.721 58.000 -0.234 0.000 1.185 254 F CB 1.133 39.915 39.000 -0.362 0.000 1.115 254 F HN 0.538 nan 8.300 nan 0.000 0.526 255 E N 2.003 122.295 120.200 0.153 0.000 2.256 255 E HA 0.326 4.675 4.350 -0.001 0.000 0.268 255 E C -1.151 175.550 176.600 0.168 0.000 0.877 255 E CA -0.553 55.900 56.400 0.088 0.000 0.757 255 E CB 0.914 30.575 29.700 -0.066 0.000 1.183 255 E HN 0.465 nan 8.360 nan 0.000 0.418 256 D N 2.432 122.903 120.400 0.118 0.000 2.689 256 D HA -0.228 4.412 4.640 -0.001 0.000 0.237 256 D C -0.982 175.351 176.300 0.054 0.000 1.148 256 D CA 0.962 54.996 54.000 0.056 0.000 0.656 256 D CB -1.292 39.485 40.800 -0.039 0.000 1.050 256 D HN 0.223 nan 8.370 nan 0.000 0.426 257 F N 0.452 120.427 119.950 0.042 0.000 2.399 257 F HA 0.553 5.081 4.527 0.000 0.000 0.328 257 F C 1.858 177.690 175.800 0.053 0.000 1.084 257 F CA -0.121 57.940 58.000 0.101 0.000 1.053 257 F CB 1.013 40.150 39.000 0.228 0.000 1.209 257 F HN -0.024 nan 8.300 nan 0.000 0.502 258 G N 1.556 110.482 108.800 0.211 0.000 2.614 258 G HA2 -0.077 3.883 3.960 -0.001 0.000 0.239 258 G HA3 -0.077 3.883 3.960 -0.001 0.000 0.239 258 G C 0.972 175.959 174.900 0.145 0.000 1.240 258 G CA -0.327 44.851 45.100 0.130 0.000 0.842 258 G HN 0.762 nan 8.290 nan 0.000 0.584 259 N N 0.221 118.997 118.700 0.127 0.000 2.037 259 N HA -0.270 4.470 4.740 -0.001 0.000 0.196 259 N C 1.823 177.458 175.510 0.209 0.000 1.034 259 N CA 2.187 55.337 53.050 0.167 0.000 0.861 259 N CB -0.417 38.174 38.487 0.173 0.000 1.039 259 N HN 0.758 nan 8.380 nan 0.000 0.427 260 H N 0.719 119.838 119.070 0.080 0.000 2.267 260 H HA -0.013 4.543 4.556 -0.000 0.000 0.297 260 H C 1.804 177.112 175.328 -0.033 0.000 1.080 260 H CA 2.651 58.724 56.048 0.040 0.000 1.278 260 H CB -0.641 29.125 29.762 0.007 0.000 1.365 260 H HN 0.446 nan 8.280 nan 0.000 0.489 261 N N -0.136 118.467 118.700 -0.161 0.000 2.149 261 N HA -0.171 4.569 4.740 -0.001 0.000 0.188 261 N C 2.071 177.290 175.510 -0.485 0.000 1.019 261 N CA 0.778 53.527 53.050 -0.503 0.000 0.857 261 N CB -0.181 38.273 38.487 -0.054 0.000 0.997 261 N HN 0.475 nan 8.380 nan 0.000 0.426 262 A N 1.151 123.883 122.820 -0.146 0.000 1.859 262 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 262 A C 1.872 179.243 177.584 -0.354 0.000 1.198 262 A CA 1.413 53.325 52.037 -0.208 0.000 0.629 262 A CB -1.039 17.831 19.000 -0.217 0.000 0.830 262 A HN 0.227 nan 8.150 nan 0.000 0.446 263 F N 0.336 120.104 119.950 -0.304 0.000 2.113 263 F HA -0.160 4.366 4.527 -0.001 0.000 0.297 263 F C 2.672 178.317 175.800 -0.257 0.000 1.103 263 F CA 1.826 59.613 58.000 -0.356 0.000 1.248 263 F CB -0.314 38.303 39.000 -0.638 0.000 0.999 263 F HN 0.308 nan 8.300 nan 0.000 0.475 264 R N 0.102 120.518 120.500 -0.141 0.000 2.120 264 R HA -0.171 4.169 4.340 -0.001 0.000 0.234 264 R C 2.069 178.304 176.300 -0.109 0.000 1.123 264 R CA 1.782 57.783 56.100 -0.165 0.000 0.975 264 R CB -1.472 28.623 30.300 -0.341 0.000 0.866 264 R HN 0.284 nan 8.270 nan 0.000 0.446 265 F N 0.854 120.673 119.950 -0.219 0.000 2.206 265 F HA -0.106 4.420 4.527 -0.001 0.000 0.298 265 F C 2.318 177.934 175.800 -0.306 0.000 1.090 265 F CA 0.003 57.838 58.000 -0.274 0.000 1.323 265 F CB -0.079 38.702 39.000 -0.364 0.000 1.028 265 F HN 0.040 nan 8.300 nan 0.000 0.492 266 L N 1.192 122.318 121.223 -0.161 0.000 2.017 266 L HA -0.189 4.151 4.340 -0.001 0.000 0.208 266 L C 2.482 179.343 176.870 -0.016 0.000 1.073 266 L CA 1.749 56.499 54.840 -0.150 0.000 0.745 266 L CB -0.835 41.120 42.059 -0.173 0.000 0.894 266 L HN -0.001 nan 8.230 nan 0.000 0.432 267 R N -0.232 120.275 120.500 0.011 0.000 2.073 267 R HA -0.226 4.113 4.340 -0.001 0.000 0.234 267 R C 2.478 178.764 176.300 -0.023 0.000 1.134 267 R CA 1.988 58.114 56.100 0.043 0.000 0.952 267 R CB -0.395 29.965 30.300 0.100 0.000 0.850 267 R HN 0.427 nan 8.270 nan 0.000 0.433 268 K N -0.748 119.580 120.400 -0.120 0.000 2.148 268 K HA -0.162 4.158 4.320 -0.001 0.000 0.204 268 K C 0.996 177.434 176.600 -0.270 0.000 1.050 268 K CA 1.486 57.607 56.287 -0.277 0.000 0.942 268 K CB 0.064 32.260 32.500 -0.506 0.000 0.724 268 K HN 0.379 nan 8.250 nan 0.000 0.446 269 Y N -0.197 120.130 120.300 0.045 0.000 2.444 269 Y HA 0.124 4.673 4.550 -0.001 0.000 0.252 269 Y C 1.932 177.915 175.900 0.138 0.000 1.091 269 Y CA -0.291 57.884 58.100 0.125 0.000 1.276 269 Y CB 0.312 38.835 38.460 0.104 0.000 1.170 269 Y HN 0.010 nan 8.280 nan 0.000 0.517 270 R N 0.704 121.333 120.500 0.217 0.000 2.200 270 R HA -0.125 4.214 4.340 -0.001 0.000 0.234 270 R C 0.742 177.132 176.300 0.150 0.000 1.127 270 R CA 1.639 57.863 56.100 0.207 0.000 0.989 270 R CB -0.218 30.177 30.300 0.159 0.000 0.869 270 R HN 0.227 nan 8.270 nan 0.000 0.459 271 E N 0.599 120.811 120.200 0.020 0.000 2.460 271 E HA 0.013 4.362 4.350 -0.001 0.000 0.200 271 E C 1.161 177.564 176.600 -0.328 0.000 1.011 271 E CA 0.397 56.647 56.400 -0.251 0.000 0.912 271 E CB 0.478 30.073 29.700 -0.176 0.000 0.953 271 E HN 0.430 nan 8.360 nan 0.000 0.494 272 K N -0.545 119.836 120.400 -0.032 0.000 2.335 272 K HA 0.076 4.396 4.320 -0.001 0.000 0.195 272 K C -0.101 176.381 176.600 -0.196 0.000 1.058 272 K CA 0.344 56.549 56.287 -0.137 0.000 0.988 272 K CB 0.617 32.973 32.500 -0.239 0.000 0.880 272 K HN -0.089 nan 8.250 nan 0.000 0.513 273 Y N -1.336 119.141 120.300 0.294 0.000 2.665 273 Y HA 0.294 4.845 4.550 0.002 0.000 0.336 273 Y C -0.595 175.431 175.900 0.210 0.000 1.085 273 Y CA -1.326 56.883 58.100 0.182 0.000 1.096 273 Y CB 1.233 39.733 38.460 0.067 0.000 1.301 273 Y HN -0.170 nan 8.280 nan 0.000 0.493 274 C N 2.143 121.603 119.300 0.267 0.000 2.145 274 C HA 0.636 5.096 4.460 -0.001 0.000 0.374 274 C C 0.004 175.151 174.990 0.262 0.000 1.035 274 C CA 0.193 59.327 59.018 0.193 0.000 1.431 274 C CB -2.131 25.667 27.740 0.096 0.000 1.789 274 C HN 0.695 nan 8.230 nan 0.000 0.483 275 T N 4.418 119.167 114.554 0.324 0.000 2.883 275 T HA 0.826 5.176 4.350 -0.001 0.000 0.301 275 T C -1.091 173.866 174.700 0.428 0.000 1.158 275 T CA -0.361 61.934 62.100 0.324 0.000 1.007 275 T CB 1.333 70.338 68.868 0.229 0.000 1.186 275 T HN 0.920 nan 8.240 nan 0.000 0.499 276 F N 1.383 121.460 119.950 0.212 0.000 2.713 276 F HA 0.628 5.155 4.527 -0.001 0.000 0.311 276 F C -1.513 174.364 175.800 0.129 0.000 1.141 276 F CA -1.147 56.963 58.000 0.184 0.000 0.939 276 F CB 1.328 40.555 39.000 0.377 0.000 1.325 276 F HN 0.479 nan 8.300 nan 0.000 0.453 277 N N 2.141 120.846 118.700 0.007 0.000 2.446 277 N HA 0.136 4.875 4.740 -0.001 0.000 0.265 277 N C -0.163 175.342 175.510 -0.010 0.000 0.975 277 N CA -0.132 52.843 53.050 -0.126 0.000 0.928 277 N CB 1.534 39.915 38.487 -0.177 0.000 1.160 277 N HN 0.941 nan 8.380 nan 0.000 0.495 278 D N 2.381 122.744 120.400 -0.062 0.000 2.218 278 D HA -0.120 4.520 4.640 -0.001 0.000 0.204 278 D C 0.591 176.950 176.300 0.099 0.000 0.976 278 D CA 1.248 55.342 54.000 0.157 0.000 0.853 278 D CB 0.420 41.250 40.800 0.051 0.000 0.939 278 D HN 0.562 nan 8.370 nan 0.000 0.481 279 D N -0.736 119.671 120.400 0.011 0.000 2.249 279 D HA -0.001 4.638 4.640 -0.001 0.000 0.205 279 D C 2.105 178.364 176.300 -0.067 0.000 0.962 279 D CA 0.361 54.356 54.000 -0.008 0.000 0.860 279 D CB 0.476 41.264 40.800 -0.019 0.000 0.955 279 D HN 0.378 nan 8.370 nan 0.000 0.505 280 I N 0.317 120.798 120.570 -0.148 0.000 2.556 280 I HA -0.123 4.046 4.170 -0.001 0.000 0.251 280 I C 2.207 178.215 176.117 -0.181 0.000 1.105 280 I CA 0.573 61.744 61.300 -0.215 0.000 1.436 280 I CB 0.117 37.874 38.000 -0.405 0.000 1.139 280 I HN -0.185 nan 8.210 nan 0.000 0.438 281 Q N 0.459 120.105 119.800 -0.258 0.000 2.226 281 Q HA 0.074 4.414 4.340 -0.001 0.000 0.199 281 Q C 2.273 177.999 176.000 -0.457 0.000 0.945 281 Q CA 1.105 56.562 55.803 -0.576 0.000 0.861 281 Q CB -0.198 27.823 28.738 -1.196 0.000 0.953 281 Q HN 0.516 nan 8.270 nan 0.000 0.490 282 G N 0.457 109.204 108.800 -0.087 0.000 2.404 282 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.215 282 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.215 282 G C 1.404 176.413 174.900 0.182 0.000 1.174 282 G CA 1.330 46.559 45.100 0.216 0.000 0.780 282 G HN 0.224 nan 8.290 nan 0.000 0.537 283 T N 1.638 116.270 114.554 0.130 0.000 2.821 283 T HA 0.048 4.397 4.350 -0.001 0.000 0.267 283 T C 2.815 177.590 174.700 0.125 0.000 1.046 283 T CA 1.387 63.566 62.100 0.131 0.000 1.139 283 T CB -0.341 68.586 68.868 0.099 0.000 0.871 283 T HN 0.365 nan 8.240 nan 0.000 0.454 284 A N 1.593 124.453 122.820 0.066 0.000 1.883 284 A HA 0.040 4.360 4.320 -0.001 0.000 0.217 284 A C 2.644 180.305 177.584 0.129 0.000 1.186 284 A CA 2.030 54.113 52.037 0.076 0.000 0.624 284 A CB -1.174 17.827 19.000 0.001 0.000 0.822 284 A HN 0.517 nan 8.150 nan 0.000 0.444 285 A N -0.608 122.298 122.820 0.142 0.000 1.902 285 A HA 0.019 4.339 4.320 -0.001 0.000 0.217 285 A C 2.229 179.936 177.584 0.204 0.000 1.181 285 A CA 1.856 54.009 52.037 0.192 0.000 0.623 285 A CB -0.971 18.193 19.000 0.273 0.000 0.818 285 A HN 0.491 nan 8.150 nan 0.000 0.443 286 V N -0.019 120.023 119.914 0.213 0.000 2.343 286 V HA -0.218 3.902 4.120 -0.001 0.000 0.247 286 V C 3.005 179.312 176.094 0.356 0.000 1.051 286 V CA 1.801 64.243 62.300 0.238 0.000 1.036 286 V CB -1.550 30.349 31.823 0.127 0.000 0.654 286 V HN 0.599 nan 8.190 nan 0.000 0.451 287 A N 0.445 123.453 122.820 0.315 0.000 1.851 287 A HA -0.242 4.077 4.320 -0.001 0.000 0.216 287 A C 2.217 180.013 177.584 0.353 0.000 1.195 287 A CA 2.329 54.617 52.037 0.419 0.000 0.622 287 A CB -0.767 18.438 19.000 0.341 0.000 0.831 287 A HN 0.450 nan 8.150 nan 0.000 0.444 288 L N -0.167 121.191 121.223 0.224 0.000 2.013 288 L HA -0.161 4.179 4.340 -0.001 0.000 0.212 288 L C 2.715 179.658 176.870 0.122 0.000 1.073 288 L CA 2.416 57.339 54.840 0.139 0.000 0.753 288 L CB -0.869 41.259 42.059 0.115 0.000 0.890 288 L HN 0.395 nan 8.230 nan 0.000 0.432 289 A N -0.582 122.334 122.820 0.160 0.000 1.917 289 A HA -0.162 4.158 4.320 -0.001 0.000 0.219 289 A C 2.362 179.917 177.584 -0.049 0.000 1.182 289 A CA 1.863 53.955 52.037 0.091 0.000 0.633 289 A CB -1.662 17.444 19.000 0.177 0.000 0.819 289 A HN 0.559 nan 8.150 nan 0.000 0.448 290 G N -0.657 108.145 108.800 0.003 0.000 2.418 290 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.217 290 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.217 290 G C 1.347 176.307 174.900 0.100 0.000 1.158 290 G CA 1.127 46.121 45.100 -0.177 0.000 0.771 290 G HN 0.343 nan 8.290 nan 0.000 0.545 291 L N 0.494 121.771 121.223 0.090 0.000 2.056 291 L HA 0.065 4.404 4.340 -0.001 0.000 0.207 291 L C 2.769 179.618 176.870 -0.034 0.000 1.078 291 L CA 0.776 55.579 54.840 -0.062 0.000 0.749 291 L CB -0.840 41.141 42.059 -0.130 0.000 0.901 291 L HN 0.086 nan 8.230 nan 0.000 0.433 292 L N -0.745 120.465 121.223 -0.022 0.000 2.131 292 L HA -0.146 4.194 4.340 -0.001 0.000 0.210 292 L C 2.605 179.462 176.870 -0.021 0.000 1.092 292 L CA 1.848 56.678 54.840 -0.017 0.000 0.759 292 L CB -1.808 40.245 42.059 -0.009 0.000 0.903 292 L HN 0.289 nan 8.230 nan 0.000 0.435 293 A N -0.380 122.407 122.820 -0.054 0.000 1.929 293 A HA -0.024 4.296 4.320 -0.001 0.000 0.216 293 A C 2.539 180.114 177.584 -0.015 0.000 1.176 293 A CA 1.415 53.414 52.037 -0.062 0.000 0.628 293 A CB -0.441 18.465 19.000 -0.158 0.000 0.816 293 A HN 0.362 nan 8.150 nan 0.000 0.444 294 A N -0.695 122.129 122.820 0.008 0.000 1.877 294 A HA -0.190 4.129 4.320 -0.001 0.000 0.216 294 A C 2.142 179.751 177.584 0.042 0.000 1.186 294 A CA 2.071 54.133 52.037 0.043 0.000 0.620 294 A CB -0.555 18.479 19.000 0.056 0.000 0.822 294 A HN 0.517 nan 8.150 nan 0.000 0.443 295 Q N 0.152 119.979 119.800 0.044 0.000 2.181 295 Q HA -0.158 4.182 4.340 -0.001 0.000 0.205 295 Q C 1.870 177.898 176.000 0.046 0.000 0.980 295 Q CA 2.181 58.025 55.803 0.068 0.000 0.862 295 Q CB -0.382 28.410 28.738 0.089 0.000 0.905 295 Q HN 0.651 nan 8.270 nan 0.000 0.429 296 K N -1.317 119.101 120.400 0.030 0.000 2.280 296 K HA -0.060 4.260 4.320 -0.001 0.000 0.202 296 K C 1.443 178.058 176.600 0.026 0.000 1.047 296 K CA 1.150 57.451 56.287 0.024 0.000 0.942 296 K CB 0.255 32.762 32.500 0.013 0.000 0.739 296 K HN 0.131 nan 8.250 nan 0.000 0.457 297 V N 0.207 120.140 119.914 0.032 0.000 2.795 297 V HA -0.041 4.079 4.120 -0.001 0.000 0.243 297 V C 1.808 177.922 176.094 0.033 0.000 1.069 297 V CA 0.864 63.187 62.300 0.037 0.000 1.089 297 V CB 0.032 31.886 31.823 0.051 0.000 0.756 297 V HN 0.218 nan 8.190 nan 0.000 0.471 298 I N -0.550 120.039 120.570 0.030 0.000 2.703 298 I HA 0.036 4.206 4.170 -0.001 0.000 0.259 298 I C 1.445 177.564 176.117 0.004 0.000 1.151 298 I CA 0.566 61.876 61.300 0.016 0.000 1.470 298 I CB 0.032 38.038 38.000 0.011 0.000 1.112 298 I HN 0.334 nan 8.210 nan 0.000 0.437 299 S N 1.862 117.571 115.700 0.015 0.000 3.550 299 S HA -0.222 4.247 4.470 -0.001 0.000 0.372 299 S C 0.402 174.992 174.600 -0.017 0.000 0.966 299 S CA 0.524 58.731 58.200 0.011 0.000 1.229 299 S CB -1.182 62.024 63.200 0.011 0.000 0.917 299 S HN 0.482 nan 8.310 nan 0.000 0.496 300 K N 1.215 121.585 120.400 -0.051 0.000 2.205 300 K HA 0.410 4.730 4.320 -0.001 0.000 0.279 300 K C -2.548 173.966 176.600 -0.143 0.000 1.027 300 K CA -2.022 54.179 56.287 -0.144 0.000 0.932 300 K CB 0.590 32.911 32.500 -0.298 0.000 1.032 300 K HN 0.040 nan 8.250 nan 0.000 0.466 301 P HA -0.071 nan 4.420 nan 0.000 0.262 301 P C 0.492 177.765 177.300 -0.046 0.000 1.199 301 P CA -0.029 63.040 63.100 -0.051 0.000 0.763 301 P CB 0.349 32.024 31.700 -0.040 0.000 0.790 302 I N 4.408 125.019 120.570 0.069 0.000 2.290 302 I HA -0.338 3.831 4.170 -0.001 0.000 0.253 302 I C 1.776 177.992 176.117 0.165 0.000 1.112 302 I CA 2.277 63.704 61.300 0.211 0.000 1.377 302 I CB -0.581 37.511 38.000 0.154 0.000 1.060 302 I HN 0.348 nan 8.210 nan 0.000 0.428 303 S N -0.608 115.138 115.700 0.076 0.000 2.428 303 S HA -0.079 4.390 4.470 -0.001 0.000 0.230 303 S C 1.536 176.168 174.600 0.053 0.000 1.014 303 S CA 0.864 59.104 58.200 0.067 0.000 0.957 303 S CB -0.650 62.575 63.200 0.043 0.000 0.784 303 S HN 0.674 nan 8.310 nan 0.000 0.499 304 E N 0.793 120.986 120.200 -0.012 0.000 2.368 304 E HA 0.124 4.474 4.350 -0.001 0.000 0.188 304 E C -0.479 176.076 176.600 -0.074 0.000 1.061 304 E CA -0.180 56.192 56.400 -0.046 0.000 0.933 304 E CB 0.058 29.706 29.700 -0.087 0.000 1.091 304 E HN 0.566 nan 8.360 nan 0.000 0.458 305 H N 1.585 120.673 119.070 0.031 0.000 2.580 305 H HA 0.290 4.845 4.556 -0.000 0.000 0.322 305 H C -0.201 175.160 175.328 0.054 0.000 1.082 305 H CA 0.197 56.261 56.048 0.027 0.000 1.383 305 H CB 1.219 31.000 29.762 0.032 0.000 1.450 305 H HN -0.110 nan 8.280 nan 0.000 0.505 306 K N 4.169 124.674 120.400 0.174 0.000 2.637 306 K HA 0.355 4.674 4.320 -0.001 0.000 0.248 306 K C -1.587 175.066 176.600 0.087 0.000 0.971 306 K CA -0.344 56.029 56.287 0.142 0.000 0.858 306 K CB 0.450 32.983 32.500 0.055 0.000 1.170 306 K HN 0.417 nan 8.250 nan 0.000 0.443 307 I N 4.695 125.339 120.570 0.123 0.000 2.378 307 I HA 0.403 4.573 4.170 -0.001 0.000 0.291 307 I C -0.975 175.172 176.117 0.049 0.000 0.992 307 I CA -1.179 60.115 61.300 -0.010 0.000 1.154 307 I CB 1.561 39.496 38.000 -0.107 0.000 1.315 307 I HN 0.435 nan 8.210 nan 0.000 0.448 308 L N 7.416 128.617 121.223 -0.036 0.000 2.305 308 L HA 0.585 4.925 4.340 -0.001 0.000 0.284 308 L C -1.349 175.611 176.870 0.150 0.000 1.013 308 L CA 0.025 54.938 54.840 0.122 0.000 0.819 308 L CB 0.693 42.761 42.059 0.015 0.000 1.227 308 L HN 0.257 nan 8.230 nan 0.000 0.417 309 F N 5.126 125.282 119.950 0.343 0.000 2.408 309 F HA 0.443 4.970 4.527 -0.000 0.000 0.344 309 F C -0.066 175.971 175.800 0.395 0.000 1.112 309 F CA -0.411 57.773 58.000 0.308 0.000 1.096 309 F CB 1.609 40.717 39.000 0.179 0.000 1.129 309 F HN 0.381 nan 8.300 nan 0.000 0.486 310 L N 4.160 125.623 121.223 0.401 0.000 2.270 310 L HA 0.761 5.101 4.340 -0.001 0.000 0.286 310 L C -0.023 176.946 176.870 0.166 0.000 1.059 310 L CA 0.247 55.132 54.840 0.074 0.000 0.839 310 L CB -0.082 41.735 42.059 -0.404 0.000 1.221 310 L HN 0.736 nan 8.230 nan 0.000 0.431 311 G N 3.587 112.530 108.800 0.238 0.000 2.587 311 G HA2 0.407 4.366 3.960 -0.001 0.000 0.686 311 G HA3 0.407 4.366 3.960 -0.001 0.000 0.686 311 G C -0.585 174.407 174.900 0.154 0.000 1.236 311 G CA -0.380 44.812 45.100 0.154 0.000 0.820 311 G HN 1.481 nan 8.290 nan 0.000 0.645 312 A N 0.352 123.226 122.820 0.089 0.000 3.106 312 A HA 0.830 5.150 4.320 -0.001 0.000 0.227 312 A C 0.903 178.503 177.584 0.026 0.000 0.920 312 A CA 0.942 52.998 52.037 0.031 0.000 1.088 312 A CB -0.038 19.010 19.000 0.080 0.000 1.233 312 A HN 2.269 nan 8.150 nan 0.000 0.503 313 G N -0.543 108.282 108.800 0.042 0.000 3.134 313 G HA2 0.421 4.381 3.960 -0.001 0.000 0.158 313 G HA3 0.421 4.381 3.960 -0.001 0.000 0.158 313 G C 0.605 175.618 174.900 0.187 0.000 1.334 313 G CA 0.238 45.405 45.100 0.112 0.000 1.001 313 G HN 0.276 nan 8.290 nan 0.000 0.600 314 E N -0.190 120.117 120.200 0.177 0.000 2.049 314 E HA -0.184 4.166 4.350 -0.001 0.000 0.198 314 E C 2.769 179.358 176.600 -0.018 0.000 1.007 314 E CA 1.490 57.896 56.400 0.010 0.000 0.809 314 E CB -0.202 29.422 29.700 -0.126 0.000 0.749 314 E HN 0.366 nan 8.360 nan 0.000 0.450 315 A N 1.181 123.998 122.820 -0.006 0.000 1.872 315 A HA -0.033 4.287 4.320 -0.001 0.000 0.214 315 A C 2.372 179.918 177.584 -0.064 0.000 1.187 315 A CA 1.562 53.598 52.037 -0.002 0.000 0.614 315 A CB -0.716 18.311 19.000 0.047 0.000 0.826 315 A HN 0.296 nan 8.150 nan 0.000 0.442 316 A N -0.014 122.720 122.820 -0.143 0.000 1.865 316 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 316 A C 2.175 179.374 177.584 -0.641 0.000 1.191 316 A CA 1.641 53.345 52.037 -0.556 0.000 0.623 316 A CB -0.742 17.982 19.000 -0.460 0.000 0.826 316 A HN 0.472 nan 8.150 nan 0.000 0.444 317 L N -0.827 120.232 121.223 -0.273 0.000 2.093 317 L HA -0.104 4.235 4.340 -0.001 0.000 0.208 317 L C 2.806 179.645 176.870 -0.052 0.000 1.085 317 L CA 0.969 55.722 54.840 -0.145 0.000 0.755 317 L CB -0.835 41.293 42.059 0.114 0.000 0.904 317 L HN 0.518 nan 8.230 nan 0.000 0.435 318 G N 0.489 109.275 108.800 -0.023 0.000 2.404 318 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.215 318 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.215 318 G C 1.582 176.471 174.900 -0.018 0.000 1.174 318 G CA 0.561 45.652 45.100 -0.015 0.000 0.780 318 G HN 0.262 nan 8.290 nan 0.000 0.537 319 I N 1.454 122.001 120.570 -0.039 0.000 2.226 319 I HA -0.138 4.032 4.170 -0.001 0.000 0.245 319 I C 3.285 179.434 176.117 0.054 0.000 1.100 319 I CA 0.882 62.223 61.300 0.068 0.000 1.374 319 I CB -0.208 37.934 38.000 0.237 0.000 1.057 319 I HN 0.237 nan 8.210 nan 0.000 0.413 320 A N 1.022 123.727 122.820 -0.191 0.000 1.883 320 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 320 A C 2.149 179.742 177.584 0.015 0.000 1.186 320 A CA 1.926 53.811 52.037 -0.255 0.000 0.624 320 A CB -0.772 17.567 19.000 -1.101 0.000 0.822 320 A HN 0.424 nan 8.150 nan 0.000 0.444 321 N N -0.128 118.622 118.700 0.083 0.000 2.166 321 N HA -0.107 4.633 4.740 -0.001 0.000 0.186 321 N C 1.566 177.169 175.510 0.155 0.000 1.019 321 N CA 1.163 54.343 53.050 0.217 0.000 0.856 321 N CB -0.251 38.362 38.487 0.210 0.000 0.993 321 N HN 0.280 nan 8.380 nan 0.000 0.426 322 L N 1.247 122.538 121.223 0.113 0.000 2.156 322 L HA 0.033 4.373 4.340 -0.001 0.000 0.208 322 L C 2.170 179.101 176.870 0.102 0.000 1.095 322 L CA 0.788 55.692 54.840 0.107 0.000 0.770 322 L CB -0.792 41.327 42.059 0.100 0.000 0.914 322 L HN 0.135 nan 8.230 nan 0.000 0.439 323 I N -1.161 119.474 120.570 0.109 0.000 2.315 323 I HA -0.188 3.981 4.170 -0.001 0.000 0.248 323 I C 1.383 177.556 176.117 0.094 0.000 1.117 323 I CA 0.207 61.560 61.300 0.088 0.000 1.404 323 I CB -0.052 38.009 38.000 0.103 0.000 1.071 323 I HN -0.088 nan 8.210 nan 0.000 0.419 329 E N 1.677 121.903 120.200 0.044 0.000 2.516 329 E HA 0.057 4.407 4.350 -0.001 0.000 0.199 329 E C 1.016 177.639 176.600 0.039 0.000 1.069 329 E CA 1.412 57.838 56.400 0.043 0.000 0.876 329 E CB -0.573 29.155 29.700 0.046 0.000 0.843 329 E HN 0.856 nan 8.360 nan 0.000 0.530 330 N N -0.371 118.352 118.700 0.039 0.000 2.238 330 N HA 0.204 4.944 4.740 -0.001 0.000 0.235 330 N C 0.467 176.001 175.510 0.040 0.000 1.209 330 N CA 0.061 53.134 53.050 0.039 0.000 0.879 330 N CB 1.429 39.940 38.487 0.040 0.000 1.136 330 N HN 0.309 nan 8.380 nan 0.000 0.517 331 G N 0.708 109.531 108.800 0.037 0.000 2.981 331 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.198 331 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.198 331 G C -0.230 174.691 174.900 0.036 0.000 1.806 331 G CA -0.709 44.412 45.100 0.035 0.000 1.374 331 G HN 0.039 nan 8.290 nan 0.000 0.555 332 L N 2.749 123.997 121.223 0.042 0.000 2.517 332 L HA 0.437 4.776 4.340 -0.001 0.000 0.294 332 L C 1.594 178.484 176.870 0.034 0.000 1.264 332 L CA 0.992 55.857 54.840 0.042 0.000 0.839 332 L CB 0.535 42.627 42.059 0.054 0.000 1.098 332 L HN 0.863 nan 8.230 nan 0.000 0.525 333 S N 0.217 115.934 115.700 0.027 0.000 2.672 333 S HA 0.270 4.739 4.470 -0.001 0.000 0.276 333 S C 0.918 175.528 174.600 0.016 0.000 1.207 333 S CA -0.384 57.826 58.200 0.017 0.000 1.002 333 S CB 1.040 64.245 63.200 0.007 0.000 0.998 333 S HN 0.673 nan 8.310 nan 0.000 0.542 334 E N 0.279 120.484 120.200 0.008 0.000 2.097 334 E HA -0.275 4.075 4.350 -0.001 0.000 0.196 334 E C 1.957 178.542 176.600 -0.025 0.000 1.000 334 E CA 1.409 57.809 56.400 0.001 0.000 0.804 334 E CB -0.153 29.540 29.700 -0.011 0.000 0.740 334 E HN 0.740 nan 8.360 nan 0.000 0.454 335 Q N 0.713 120.489 119.800 -0.040 0.000 2.084 335 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 335 Q C 1.840 177.810 176.000 -0.050 0.000 0.978 335 Q CA 2.113 57.876 55.803 -0.068 0.000 0.844 335 Q CB -0.089 28.612 28.738 -0.063 0.000 0.898 335 Q HN 0.611 nan 8.270 nan 0.000 0.426 336 E N -0.974 119.219 120.200 -0.011 0.000 2.285 336 E HA 0.013 4.363 4.350 -0.001 0.000 0.194 336 E C 1.703 178.333 176.600 0.050 0.000 0.997 336 E CA 0.698 57.108 56.400 0.016 0.000 0.845 336 E CB -0.097 29.620 29.700 0.028 0.000 0.782 336 E HN 0.300 nan 8.360 nan 0.000 0.491 337 A N 1.647 124.499 122.820 0.054 0.000 1.930 337 A HA -0.118 4.202 4.320 -0.001 0.000 0.215 337 A C 2.121 179.786 177.584 0.135 0.000 1.176 337 A CA 0.899 52.992 52.037 0.094 0.000 0.632 337 A CB -0.264 18.789 19.000 0.089 0.000 0.819 337 A HN 0.196 nan 8.150 nan 0.000 0.445 338 Q N -0.613 119.237 119.800 0.084 0.000 2.291 338 Q HA -0.110 4.230 4.340 -0.001 0.000 0.205 338 Q C 1.852 177.901 176.000 0.081 0.000 0.970 338 Q CA 1.451 57.313 55.803 0.098 0.000 0.876 338 Q CB -0.134 28.498 28.738 -0.175 0.000 0.935 338 Q HN 0.641 nan 8.270 nan 0.000 0.455 339 K N 1.132 121.540 120.400 0.012 0.000 2.432 339 K HA -0.052 4.267 4.320 -0.001 0.000 0.196 339 K C 1.037 177.844 176.600 0.345 0.000 1.038 339 K CA 0.657 56.958 56.287 0.024 0.000 0.986 339 K CB 0.322 32.804 32.500 -0.029 0.000 0.782 339 K HN -0.017 nan 8.250 nan 0.000 0.485 340 K N 0.029 120.602 120.400 0.288 0.000 2.404 340 K HA 0.168 4.487 4.320 -0.001 0.000 0.194 340 K C -0.254 176.576 176.600 0.383 0.000 1.023 340 K CA 0.191 56.678 56.287 0.335 0.000 1.094 340 K CB 0.523 33.170 32.500 0.246 0.000 0.841 340 K HN 0.088 nan 8.250 nan 0.000 0.523 341 I N 1.005 121.799 120.570 0.372 0.000 2.362 341 I HA 0.255 4.424 4.170 -0.001 0.000 0.289 341 I C -0.793 175.499 176.117 0.292 0.000 0.994 341 I CA -0.886 60.654 61.300 0.399 0.000 1.158 341 I CB 0.803 39.065 38.000 0.436 0.000 1.315 341 I HN -0.030 nan 8.210 nan 0.000 0.451 345 D N 4.198 124.610 120.400 0.020 0.000 2.530 345 D HA 0.218 4.858 4.640 -0.001 0.000 0.282 345 D C 0.871 177.107 176.300 -0.106 0.000 1.204 345 D CA -0.253 53.770 54.000 0.039 0.000 1.093 345 D CB 0.544 41.403 40.800 0.098 0.000 1.154 345 D HN 0.594 nan 8.370 nan 0.000 0.593 346 K N -1.108 119.218 120.400 -0.125 0.000 2.442 346 K HA -0.120 4.200 4.320 -0.001 0.000 0.198 346 K C 0.829 177.139 176.600 -0.484 0.000 1.042 346 K CA 1.033 57.139 56.287 -0.302 0.000 0.958 346 K CB -0.481 31.776 32.500 -0.405 0.000 0.766 346 K HN 0.377 nan 8.250 nan 0.000 0.474 347 Y N 0.677 120.897 120.300 -0.133 0.000 2.444 347 Y HA 0.283 4.833 4.550 -0.001 0.000 0.249 347 Y C 1.123 176.880 175.900 -0.239 0.000 1.134 347 Y CA 0.130 58.154 58.100 -0.127 0.000 1.261 347 Y CB 1.316 39.728 38.460 -0.079 0.000 1.143 347 Y HN 0.353 nan 8.280 nan 0.000 0.523 348 G N 0.322 108.860 108.800 -0.437 0.000 2.362 348 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.517 348 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.517 348 G C -1.580 172.863 174.900 -0.763 0.000 1.256 348 G CA -1.058 43.499 45.100 -0.905 0.000 1.027 348 G HN 0.016 nan 8.290 nan 0.000 0.491 349 L N 0.636 121.646 121.223 -0.354 0.000 2.540 349 L HA 0.405 4.745 4.340 -0.001 0.000 0.276 349 L C 1.011 177.963 176.870 0.137 0.000 1.212 349 L CA -0.123 54.812 54.840 0.159 0.000 0.893 349 L CB 0.208 42.491 42.059 0.374 0.000 1.138 349 L HN 0.467 nan 8.230 nan 0.000 0.491 350 L N 7.310 128.653 121.223 0.200 0.000 2.454 350 L HA 0.218 4.557 4.340 -0.001 0.000 0.284 350 L C -0.187 176.789 176.870 0.176 0.000 1.139 350 L CA -0.316 54.620 54.840 0.159 0.000 0.911 350 L CB -0.214 41.948 42.059 0.171 0.000 1.262 350 L HN 0.529 nan 8.230 nan 0.000 0.453 351 V N 0.660 120.660 119.914 0.142 0.000 2.815 351 V HA 0.477 4.597 4.120 -0.001 0.000 0.314 351 V C 0.186 176.329 176.094 0.082 0.000 1.064 351 V CA -1.383 61.002 62.300 0.143 0.000 0.952 351 V CB 1.959 33.882 31.823 0.167 0.000 1.020 351 V HN 0.542 nan 8.190 nan 0.000 0.439 352 K N 2.008 122.445 120.400 0.063 0.000 2.489 352 K HA 0.409 4.728 4.320 -0.001 0.000 0.278 352 K C 1.210 177.826 176.600 0.026 0.000 1.000 352 K CA 0.964 57.267 56.287 0.026 0.000 1.012 352 K CB 0.454 32.960 32.500 0.009 0.000 0.903 352 K HN 1.597 nan 8.250 nan 0.000 0.485 353 G N 2.193 110.998 108.800 0.008 0.000 2.148 353 G HA2 -0.345 3.614 3.960 -0.001 0.000 0.254 353 G HA3 -0.345 3.614 3.960 -0.001 0.000 0.254 353 G C 0.108 175.012 174.900 0.007 0.000 0.981 353 G CA 0.668 45.771 45.100 0.005 0.000 0.670 353 G HN 0.750 nan 8.290 nan 0.000 0.528 354 R N -0.568 119.938 120.500 0.011 0.000 2.738 354 R HA 0.620 4.960 4.340 -0.001 0.000 0.268 354 R C 1.443 177.731 176.300 -0.019 0.000 1.062 354 R CA 0.317 56.422 56.100 0.009 0.000 1.158 354 R CB 0.541 30.853 30.300 0.019 0.000 1.046 354 R HN 0.018 nan 8.270 nan 0.000 0.493 355 K N 1.959 122.345 120.400 -0.023 0.000 2.097 355 K HA 0.016 4.336 4.320 -0.001 0.000 0.205 355 K C 0.287 176.824 176.600 -0.105 0.000 1.050 355 K CA 1.488 57.747 56.287 -0.048 0.000 0.938 355 K CB -0.291 32.191 32.500 -0.031 0.000 0.718 355 K HN 0.713 nan 8.250 nan 0.000 0.442 356 A N 1.364 124.097 122.820 -0.145 0.000 2.425 356 A HA 0.217 4.537 4.320 -0.001 0.000 0.249 356 A C -0.295 177.157 177.584 -0.219 0.000 1.084 356 A CA -0.355 51.496 52.037 -0.311 0.000 0.781 356 A CB 0.126 18.864 19.000 -0.436 0.000 1.019 356 A HN 0.216 nan 8.150 nan 0.000 0.490 357 K N 0.318 120.570 120.400 -0.248 0.000 2.552 357 K HA 0.155 4.475 4.320 -0.001 0.000 0.276 357 K C -0.367 176.180 176.600 -0.090 0.000 0.960 357 K CA 0.942 57.142 56.287 -0.145 0.000 0.961 357 K CB 0.070 32.488 32.500 -0.137 0.000 0.902 357 K HN 0.471 nan 8.250 nan 0.000 0.515 358 I N 3.504 124.040 120.570 -0.055 0.000 2.560 358 I HA 0.048 4.218 4.170 -0.001 0.000 0.283 358 I C -0.289 175.811 176.117 -0.028 0.000 1.115 358 I CA -0.860 60.424 61.300 -0.027 0.000 1.066 358 I CB 1.163 39.151 38.000 -0.020 0.000 1.221 358 I HN 0.806 nan 8.210 nan 0.000 0.450 359 D N 3.646 124.038 120.400 -0.014 0.000 2.411 359 D HA 0.095 4.734 4.640 -0.001 0.000 0.251 359 D C 1.093 177.364 176.300 -0.049 0.000 1.201 359 D CA -0.140 53.852 54.000 -0.015 0.000 0.996 359 D CB 1.385 42.205 40.800 0.033 0.000 1.101 359 D HN 0.425 nan 8.370 nan 0.000 0.504 360 S N -0.115 115.513 115.700 -0.120 0.000 2.383 360 S HA -0.275 4.194 4.470 -0.001 0.000 0.229 360 S C 2.002 176.433 174.600 -0.282 0.000 1.030 360 S CA 0.902 58.955 58.200 -0.245 0.000 1.002 360 S CB -1.079 61.895 63.200 -0.377 0.000 0.829 360 S HN 0.625 nan 8.310 nan 0.000 0.467 361 Y N 2.138 122.345 120.300 -0.156 0.000 2.293 361 Y HA 0.030 4.580 4.550 -0.001 0.000 0.291 361 Y C 2.883 178.776 175.900 -0.012 0.000 1.137 361 Y CA 1.249 59.264 58.100 -0.142 0.000 1.202 361 Y CB -0.459 37.776 38.460 -0.376 0.000 0.990 361 Y HN 0.393 nan 8.280 nan 0.000 0.537 362 Q N -0.415 119.457 119.800 0.120 0.000 2.302 362 Q HA -0.123 4.216 4.340 -0.001 0.000 0.202 362 Q C 2.106 178.158 176.000 0.086 0.000 0.936 362 Q CA 0.475 56.382 55.803 0.173 0.000 0.886 362 Q CB -0.023 28.777 28.738 0.104 0.000 0.986 362 Q HN 0.380 nan 8.270 nan 0.000 0.487 363 E N 1.515 121.694 120.200 -0.035 0.000 2.108 363 E HA -0.211 4.138 4.350 -0.001 0.000 0.203 363 E C -0.861 175.614 176.600 -0.207 0.000 1.022 363 E CA 1.732 58.068 56.400 -0.106 0.000 0.823 363 E CB -0.870 28.751 29.700 -0.133 0.000 0.744 363 E HN 0.243 nan 8.360 nan 0.000 0.456 364 P HA -0.112 nan 4.420 nan 0.000 0.223 364 P C 0.470 177.299 177.300 -0.786 0.000 1.144 364 P CA 1.192 63.903 63.100 -0.649 0.000 0.783 364 P CB -0.228 30.937 31.700 -0.891 0.000 0.771 365 F N -2.776 117.139 119.950 -0.058 0.000 2.654 365 F HA 0.201 4.728 4.527 -0.001 0.000 0.303 365 F C 0.543 176.381 175.800 0.064 0.000 1.099 365 F CA -0.156 57.847 58.000 0.005 0.000 1.270 365 F CB -0.301 38.735 39.000 0.059 0.000 1.024 365 F HN -0.375 nan 8.300 nan 0.000 0.548 366 T N 0.743 115.342 114.554 0.075 0.000 2.762 366 T HA 0.265 4.615 4.350 -0.001 0.000 0.303 366 T C -0.272 174.427 174.700 -0.002 0.000 0.977 366 T CA -0.246 61.903 62.100 0.082 0.000 0.961 366 T CB 0.010 68.895 68.868 0.028 0.000 0.944 366 T HN 0.032 nan 8.240 nan 0.000 0.481 367 H N 0.684 119.595 119.070 -0.265 0.000 2.497 367 H HA 0.508 5.064 4.556 -0.000 0.000 0.348 367 H C 0.600 175.874 175.328 -0.090 0.000 1.335 367 H CA -0.851 55.010 56.048 -0.312 0.000 1.395 367 H CB 0.487 29.771 29.762 -0.796 0.000 1.658 367 H HN 0.381 nan 8.280 nan 0.000 0.613 368 S N 0.437 116.207 115.700 0.116 0.000 2.528 368 S HA 0.394 4.864 4.470 -0.001 0.000 0.277 368 S C 0.035 174.765 174.600 0.216 0.000 1.297 368 S CA -0.525 57.750 58.200 0.125 0.000 1.052 368 S CB 0.300 63.555 63.200 0.093 0.000 0.917 368 S HN 0.803 nan 8.310 nan 0.000 0.492 369 A N 5.673 128.601 122.820 0.179 0.000 2.591 369 A HA 0.221 4.541 4.320 -0.001 0.000 0.244 369 A C -1.816 175.885 177.584 0.195 0.000 1.031 369 A CA -0.515 51.640 52.037 0.197 0.000 0.767 369 A CB -0.752 18.325 19.000 0.128 0.000 0.942 369 A HN 0.530 nan 8.150 nan 0.000 0.514 370 P HA 0.196 nan 4.420 nan 0.000 0.282 370 P C 0.694 178.038 177.300 0.074 0.000 1.286 370 P CA -0.358 62.819 63.100 0.128 0.000 0.777 370 P CB 0.390 32.106 31.700 0.027 0.000 1.184 371 E N -0.541 119.683 120.200 0.039 0.000 2.048 371 E HA -0.143 4.207 4.350 -0.001 0.000 0.202 371 E C 0.445 177.060 176.600 0.024 0.000 1.021 371 E CA 1.783 58.198 56.400 0.026 0.000 0.825 371 E CB -0.755 28.948 29.700 0.005 0.000 0.756 371 E HN 0.488 nan 8.360 nan 0.000 0.454 372 S N -0.166 115.541 115.700 0.012 0.000 2.502 372 S HA 0.535 5.004 4.470 -0.001 0.000 0.304 372 S C -0.169 174.447 174.600 0.027 0.000 1.097 372 S CA -0.912 57.298 58.200 0.017 0.000 1.045 372 S CB 1.078 64.278 63.200 0.002 0.000 1.019 372 S HN 0.117 nan 8.310 nan 0.000 0.481 373 I N 4.623 125.223 120.570 0.050 0.000 2.436 373 I HA 0.228 4.397 4.170 -0.001 0.000 0.289 373 I C -1.677 174.491 176.117 0.084 0.000 1.083 373 I CA -1.742 59.605 61.300 0.078 0.000 1.372 373 I CB 0.414 38.467 38.000 0.089 0.000 1.408 373 I HN 0.504 nan 8.210 nan 0.000 0.516 374 P HA 0.007 nan 4.420 nan 0.000 0.268 374 P C -0.252 177.177 177.300 0.214 0.000 1.204 374 P CA 0.055 63.224 63.100 0.113 0.000 0.768 374 P CB 1.497 33.245 31.700 0.079 0.000 0.842 375 D N 1.646 122.147 120.400 0.168 0.000 2.259 375 D HA -0.044 4.596 4.640 -0.001 0.000 0.216 375 D C 0.677 177.169 176.300 0.320 0.000 0.961 375 D CA 0.965 55.086 54.000 0.201 0.000 0.878 375 D CB 0.307 41.178 40.800 0.120 0.000 1.009 375 D HN 0.510 nan 8.370 nan 0.000 0.490 376 T N -3.701 110.986 114.554 0.221 0.000 2.905 376 T HA 0.234 4.584 4.350 -0.001 0.000 0.283 376 T C 0.670 175.274 174.700 -0.160 0.000 1.031 376 T CA -0.794 61.420 62.100 0.190 0.000 1.002 376 T CB 0.700 69.624 68.868 0.094 0.000 1.200 376 T HN -0.037 nan 8.240 nan 0.000 0.560 377 F N 0.503 120.158 119.950 -0.491 0.000 2.259 377 F HA 0.115 4.642 4.527 -0.001 0.000 0.298 377 F C 2.460 178.017 175.800 -0.405 0.000 1.088 377 F CA 1.517 59.028 58.000 -0.816 0.000 1.358 377 F CB -0.220 38.493 39.000 -0.478 0.000 1.040 377 F HN 0.886 nan 8.300 nan 0.000 0.505 378 E N -0.030 120.066 120.200 -0.174 0.000 2.110 378 E HA -0.228 4.121 4.350 -0.001 0.000 0.193 378 E C 1.649 178.104 176.600 -0.242 0.000 0.988 378 E CA 1.646 57.938 56.400 -0.181 0.000 0.804 378 E CB -0.168 29.493 29.700 -0.066 0.000 0.745 378 E HN 0.396 nan 8.360 nan 0.000 0.458 379 D N 0.336 120.617 120.400 -0.199 0.000 2.117 379 D HA -0.141 4.499 4.640 -0.001 0.000 0.198 379 D C 1.872 178.023 176.300 -0.249 0.000 0.982 379 D CA 1.239 55.141 54.000 -0.164 0.000 0.828 379 D CB -0.265 40.492 40.800 -0.071 0.000 0.967 379 D HN 0.293 nan 8.370 nan 0.000 0.464 380 A N 0.920 123.513 122.820 -0.379 0.000 1.940 380 A HA -0.140 4.180 4.320 -0.001 0.000 0.219 380 A C 2.559 179.830 177.584 -0.520 0.000 1.176 380 A CA 1.156 52.922 52.037 -0.452 0.000 0.631 380 A CB -0.721 17.888 19.000 -0.652 0.000 0.814 380 A HN 0.145 nan 8.150 nan 0.000 0.446 381 V N 0.899 120.450 119.914 -0.604 0.000 2.427 381 V HA -0.215 3.905 4.120 -0.001 0.000 0.248 381 V C 2.149 178.046 176.094 -0.328 0.000 1.051 381 V CA 2.014 64.018 62.300 -0.494 0.000 1.048 381 V CB -0.794 30.748 31.823 -0.469 0.000 0.666 381 V HN 0.574 nan 8.190 nan 0.000 0.456 382 N N -0.227 118.311 118.700 -0.271 0.000 2.354 382 N HA 0.073 4.812 4.740 -0.001 0.000 0.179 382 N C 1.749 177.144 175.510 -0.191 0.000 1.021 382 N CA 1.144 54.076 53.050 -0.197 0.000 0.887 382 N CB 0.128 38.524 38.487 -0.151 0.000 0.974 382 N HN 0.431 nan 8.380 nan 0.000 0.437 383 I N 0.155 120.593 120.570 -0.221 0.000 2.400 383 I HA -0.115 4.055 4.170 -0.001 0.000 0.248 383 I C 1.253 177.202 176.117 -0.281 0.000 1.109 383 I CA 0.643 61.816 61.300 -0.212 0.000 1.425 383 I CB 0.131 38.017 38.000 -0.191 0.000 1.094 383 I HN -0.035 nan 8.210 nan 0.000 0.425 384 L N 0.189 121.182 121.223 -0.383 0.000 2.307 384 L HA 0.072 4.411 4.340 -0.001 0.000 0.211 384 L C 0.772 177.432 176.870 -0.350 0.000 1.099 384 L CA 0.682 55.221 54.840 -0.502 0.000 0.816 384 L CB -0.677 40.933 42.059 -0.748 0.000 0.952 384 L HN 0.084 nan 8.230 nan 0.000 0.455 385 K N -0.108 120.120 120.400 -0.288 0.000 3.244 385 K HA -0.144 4.176 4.320 -0.001 0.000 0.270 385 K C -2.228 174.256 176.600 -0.194 0.000 1.016 385 K CA 0.024 56.182 56.287 -0.215 0.000 0.754 385 K CB -1.418 30.984 32.500 -0.162 0.000 1.326 385 K HN 0.277 nan 8.250 nan 0.000 0.465 386 P HA -0.021 nan 4.420 nan 0.000 0.272 386 P C 0.470 177.695 177.300 -0.125 0.000 1.223 386 P CA 0.051 63.055 63.100 -0.160 0.000 0.784 386 P CB 1.367 32.960 31.700 -0.178 0.000 0.923 387 S N -0.158 115.493 115.700 -0.081 0.000 2.503 387 S HA 0.100 4.569 4.470 -0.001 0.000 0.217 387 S C 0.628 175.182 174.600 -0.076 0.000 0.999 387 S CA 0.266 58.422 58.200 -0.073 0.000 0.914 387 S CB -0.312 62.855 63.200 -0.054 0.000 0.782 387 S HN 0.510 nan 8.310 nan 0.000 0.520 388 T N 2.020 116.520 114.554 -0.090 0.000 2.886 388 T HA 0.672 5.022 4.350 -0.001 0.000 0.292 388 T C -1.553 173.050 174.700 -0.161 0.000 1.012 388 T CA -0.362 61.654 62.100 -0.141 0.000 0.982 388 T CB 1.848 70.605 68.868 -0.186 0.000 1.018 388 T HN 0.126 nan 8.240 nan 0.000 0.451 389 I N 3.077 123.561 120.570 -0.143 0.000 2.466 389 I HA 0.555 4.724 4.170 -0.001 0.000 0.289 389 I C -1.175 174.978 176.117 0.059 0.000 1.026 389 I CA -0.799 60.462 61.300 -0.065 0.000 1.078 389 I CB 1.264 39.141 38.000 -0.205 0.000 1.249 389 I HN 0.598 nan 8.210 nan 0.000 0.429 390 I N 6.594 127.227 120.570 0.105 0.000 2.410 390 I HA 0.441 4.610 4.170 -0.001 0.000 0.286 390 I C 0.371 176.702 176.117 0.357 0.000 1.009 390 I CA -0.602 60.809 61.300 0.184 0.000 1.111 390 I CB 1.812 39.705 38.000 -0.179 0.000 1.262 390 I HN 0.664 nan 8.210 nan 0.000 0.443 391 G N 5.508 114.483 108.800 0.292 0.000 2.350 391 G HA2 0.483 4.443 3.960 -0.001 0.000 0.306 391 G HA3 0.483 4.443 3.960 -0.001 0.000 0.306 391 G C 0.066 174.951 174.900 -0.026 0.000 1.094 391 G CA -0.233 44.780 45.100 -0.144 0.000 0.953 391 G HN 0.557 nan 8.290 nan 0.000 0.420 392 V N 0.124 120.053 119.914 0.025 0.000 2.719 392 V HA 0.618 4.737 4.120 -0.001 0.000 0.330 392 V C 0.742 176.847 176.094 0.017 0.000 1.224 392 V CA 0.048 62.378 62.300 0.051 0.000 1.314 392 V CB 0.213 32.118 31.823 0.138 0.000 1.416 392 V HN 0.737 nan 8.190 nan 0.000 0.651 393 A N 0.430 123.222 122.820 -0.048 0.000 2.197 393 A HA 0.616 4.936 4.320 -0.001 0.000 0.210 393 A C 2.022 179.582 177.584 -0.040 0.000 1.180 393 A CA 0.647 52.662 52.037 -0.037 0.000 0.846 393 A CB -0.225 18.733 19.000 -0.069 0.000 0.884 393 A HN 2.029 nan 8.150 nan 0.000 0.487 394 G N -0.997 107.771 108.800 -0.053 0.000 2.321 394 G HA2 -0.016 3.944 3.960 -0.001 0.000 0.287 394 G HA3 -0.016 3.944 3.960 -0.001 0.000 0.287 394 G C 0.650 175.524 174.900 -0.044 0.000 1.018 394 G CA 0.570 45.644 45.100 -0.043 0.000 0.855 394 G HN 1.593 nan 8.290 nan 0.000 0.507 395 A N -0.948 121.837 122.820 -0.058 0.000 2.609 395 A HA 0.769 5.089 4.320 -0.001 0.000 0.286 395 A C 1.636 179.192 177.584 -0.046 0.000 1.138 395 A CA 1.257 53.266 52.037 -0.047 0.000 0.960 395 A CB 0.158 19.131 19.000 -0.045 0.000 1.208 395 A HN 2.551 nan 8.150 nan 0.000 0.541 396 G N -0.125 108.643 108.800 -0.053 0.000 2.526 396 G HA2 -0.109 3.851 3.960 -0.001 0.000 0.250 396 G HA3 -0.109 3.851 3.960 -0.001 0.000 0.250 396 G C -0.437 174.429 174.900 -0.056 0.000 1.289 396 G CA -0.891 44.186 45.100 -0.037 0.000 0.947 396 G HN 0.263 nan 8.290 nan 0.000 0.517 397 R N 0.956 121.444 120.500 -0.020 0.000 4.828 397 R HA 0.080 4.420 4.340 -0.001 0.000 0.167 397 R C 1.699 177.999 176.300 0.001 0.000 2.071 397 R CA -0.195 55.902 56.100 -0.006 0.000 1.630 397 R CB -0.986 29.329 30.300 0.024 0.000 1.359 397 R HN 0.393 nan 8.270 nan 0.000 0.834 398 L N -0.252 120.933 121.223 -0.063 0.000 2.291 398 L HA 0.033 4.373 4.340 -0.001 0.000 0.214 398 L C 1.024 177.999 176.870 0.175 0.000 1.120 398 L CA 1.052 55.884 54.840 -0.013 0.000 0.799 398 L CB -0.468 41.512 42.059 -0.132 0.000 0.925 398 L HN 0.285 nan 8.230 nan 0.000 0.446 399 F N 1.889 121.821 119.950 -0.030 0.000 2.605 399 F HA 0.053 4.580 4.527 -0.001 0.000 0.352 399 F C 1.280 177.087 175.800 0.011 0.000 1.236 399 F CA -0.894 57.112 58.000 0.010 0.000 1.267 399 F CB 0.105 39.121 39.000 0.027 0.000 1.632 399 F HN 0.063 nan 8.300 nan 0.000 0.639 400 T N -0.610 114.061 114.554 0.196 0.000 2.802 400 T HA 0.080 4.430 4.350 -0.001 0.000 0.305 400 T C -1.692 173.041 174.700 0.054 0.000 1.053 400 T CA -1.519 60.640 62.100 0.098 0.000 1.058 400 T CB 1.238 70.151 68.868 0.075 0.000 0.988 400 T HN 0.124 nan 8.240 nan 0.000 0.539 401 P HA -0.090 nan 4.420 nan 0.000 0.216 401 P C 1.091 178.381 177.300 -0.017 0.000 1.150 401 P CA 1.048 64.143 63.100 -0.008 0.000 0.843 401 P CB 0.009 31.703 31.700 -0.010 0.000 0.787 402 D N -1.152 119.243 120.400 -0.007 0.000 2.144 402 D HA -0.084 4.556 4.640 -0.001 0.000 0.200 402 D C 2.035 178.312 176.300 -0.038 0.000 0.978 402 D CA 0.922 54.909 54.000 -0.022 0.000 0.833 402 D CB -0.652 40.140 40.800 -0.013 0.000 0.961 402 D HN -0.009 nan 8.370 nan 0.000 0.470 403 V N 1.487 121.391 119.914 -0.017 0.000 2.295 403 V HA -0.220 3.900 4.120 -0.001 0.000 0.246 403 V C 2.521 178.550 176.094 -0.108 0.000 1.049 403 V CA 1.194 63.467 62.300 -0.046 0.000 1.024 403 V CB -0.354 31.497 31.823 0.047 0.000 0.648 403 V HN 0.180 nan 8.190 nan 0.000 0.447 404 I N -0.698 119.819 120.570 -0.088 0.000 2.315 404 I HA -0.208 3.961 4.170 -0.001 0.000 0.248 404 I C 2.716 178.772 176.117 -0.102 0.000 1.117 404 I CA 1.442 62.674 61.300 -0.113 0.000 1.404 404 I CB -0.452 37.493 38.000 -0.092 0.000 1.071 404 I HN 0.158 nan 8.210 nan 0.000 0.419 405 R N 1.105 121.557 120.500 -0.080 0.000 2.092 405 R HA -0.013 4.327 4.340 -0.001 0.000 0.231 405 R C 1.369 177.620 176.300 -0.081 0.000 1.119 405 R CA 0.835 56.892 56.100 -0.072 0.000 0.970 405 R CB -0.094 30.173 30.300 -0.055 0.000 0.864 405 R HN 0.355 nan 8.270 nan 0.000 0.440 409 S N 0.218 115.876 115.700 -0.069 0.000 2.446 409 S HA 0.156 4.626 4.470 -0.001 0.000 0.225 409 S C 1.687 176.247 174.600 -0.065 0.000 1.016 409 S CA 1.238 59.402 58.200 -0.061 0.000 0.943 409 S CB -0.488 62.676 63.200 -0.061 0.000 0.786 409 S HN 0.451 nan 8.310 nan 0.000 0.508 410 I N 1.468 121.990 120.570 -0.080 0.000 2.585 410 I HA 0.120 4.289 4.170 -0.001 0.000 0.254 410 I C 0.378 176.449 176.117 -0.076 0.000 1.129 410 I CA 0.343 61.593 61.300 -0.084 0.000 1.455 410 I CB -0.116 37.818 38.000 -0.109 0.000 1.111 410 I HN 0.246 nan 8.210 nan 0.000 0.433 411 N N 0.809 119.464 118.700 -0.074 0.000 2.319 411 N HA 0.092 4.832 4.740 -0.001 0.000 0.305 411 N C 0.530 176.010 175.510 -0.049 0.000 1.103 411 N CA -0.214 52.798 53.050 -0.064 0.000 0.815 411 N CB 2.456 40.901 38.487 -0.070 0.000 1.288 411 N HN -0.043 nan 8.380 nan 0.000 0.493 412 E N 1.333 121.510 120.200 -0.039 0.000 2.072 412 E HA -0.030 4.319 4.350 -0.001 0.000 0.190 412 E C -0.267 176.323 176.600 -0.017 0.000 0.982 412 E CA 1.535 57.920 56.400 -0.025 0.000 0.803 412 E CB 0.375 30.064 29.700 -0.019 0.000 0.755 412 E HN 0.296 nan 8.360 nan 0.000 0.453 413 R N 1.363 121.853 120.500 -0.017 0.000 2.494 413 R HA 0.329 4.669 4.340 -0.001 0.000 0.284 413 R C -2.482 173.810 176.300 -0.013 0.000 1.525 413 R CA -2.258 53.841 56.100 -0.003 0.000 1.460 413 R CB 0.835 31.143 30.300 0.015 0.000 1.134 413 R HN 0.241 nan 8.270 nan 0.000 0.592 414 P HA 0.108 nan 4.420 nan 0.000 0.276 414 P C -0.071 177.223 177.300 -0.010 0.000 1.230 414 P CA -0.225 62.851 63.100 -0.041 0.000 0.776 414 P CB 1.424 33.084 31.700 -0.067 0.000 0.888 415 V N 5.769 125.670 119.914 -0.021 0.000 2.383 415 V HA 0.296 4.415 4.120 -0.001 0.000 0.275 415 V C 0.627 176.739 176.094 0.031 0.000 1.036 415 V CA -0.251 62.055 62.300 0.011 0.000 0.889 415 V CB 0.497 32.262 31.823 -0.096 0.000 0.985 415 V HN 0.406 nan 8.190 nan 0.000 0.459 416 I N 5.764 126.458 120.570 0.208 0.000 2.439 416 I HA 0.438 4.608 4.170 -0.001 0.000 0.285 416 I C -1.221 175.235 176.117 0.565 0.000 1.021 416 I CA -0.281 61.193 61.300 0.290 0.000 1.091 416 I CB 1.681 39.810 38.000 0.216 0.000 1.242 416 I HN 0.358 nan 8.210 nan 0.000 0.439 417 F N 4.730 124.768 119.950 0.147 0.000 2.427 417 F HA 0.570 5.097 4.527 -0.001 0.000 0.348 417 F C 0.431 176.321 175.800 0.151 0.000 1.125 417 F CA -1.352 56.671 58.000 0.039 0.000 0.989 417 F CB 1.976 41.001 39.000 0.042 0.000 1.165 417 F HN 0.424 nan 8.300 nan 0.000 0.442 418 A N 5.759 128.648 122.820 0.116 0.000 2.644 418 A HA 0.538 4.857 4.320 -0.001 0.000 0.343 418 A C 0.389 177.977 177.584 0.006 0.000 1.324 418 A CA -0.325 51.763 52.037 0.084 0.000 0.846 418 A CB -0.255 18.883 19.000 0.229 0.000 1.128 418 A HN 0.830 nan 8.150 nan 0.000 0.484 419 L N 0.732 121.965 121.223 0.017 0.000 2.558 419 L HA 0.067 4.406 4.340 -0.001 0.000 0.225 419 L C 0.853 177.723 176.870 -0.000 0.000 1.128 419 L CA 0.105 54.951 54.840 0.009 0.000 0.868 419 L CB -0.215 41.888 42.059 0.073 0.000 1.006 419 L HN 0.496 nan 8.230 nan 0.000 0.454 420 S N 1.081 116.770 115.700 -0.018 0.000 2.562 420 S HA 0.171 4.641 4.470 -0.001 0.000 0.281 420 S C 0.143 174.723 174.600 -0.033 0.000 1.333 420 S CA -0.228 57.955 58.200 -0.028 0.000 1.052 420 S CB 0.384 63.553 63.200 -0.052 0.000 0.884 420 S HN 0.278 nan 8.310 nan 0.000 0.506 421 N N 2.720 121.392 118.700 -0.048 0.000 2.292 421 N HA 0.518 5.257 4.740 -0.001 0.000 0.303 421 N C -2.718 172.750 175.510 -0.071 0.000 1.140 421 N CA -1.474 51.530 53.050 -0.077 0.000 0.788 421 N CB 1.829 40.246 38.487 -0.117 0.000 1.361 421 N HN 0.295 nan 8.380 nan 0.000 0.489 422 P HA 0.162 nan 4.420 nan 0.000 0.302 422 P C 0.522 177.777 177.300 -0.076 0.000 1.307 422 P CA -0.054 62.987 63.100 -0.099 0.000 0.754 422 P CB 0.462 32.106 31.700 -0.093 0.000 1.298 423 T N 0.053 114.546 114.554 -0.102 0.000 2.680 423 T HA -0.238 4.112 4.350 -0.001 0.000 0.268 423 T C 1.872 176.583 174.700 0.019 0.000 1.033 423 T CA 2.505 64.557 62.100 -0.080 0.000 1.152 423 T CB -1.124 67.664 68.868 -0.133 0.000 0.859 423 T HN 0.537 nan 8.240 nan 0.000 0.452 424 A N 0.897 123.720 122.820 0.005 0.000 2.067 424 A HA -0.065 4.255 4.320 -0.001 0.000 0.219 424 A C 2.236 179.829 177.584 0.015 0.000 1.158 424 A CA 0.922 52.972 52.037 0.022 0.000 0.661 424 A CB -0.230 18.776 19.000 0.009 0.000 0.801 424 A HN 0.343 nan 8.150 nan 0.000 0.452 425 Q N -0.394 119.405 119.800 -0.002 0.000 2.360 425 Q HA 0.316 4.656 4.340 -0.001 0.000 0.202 425 Q C 0.771 176.760 176.000 -0.017 0.000 0.915 425 Q CA 0.568 56.361 55.803 -0.016 0.000 0.943 425 Q CB -0.496 28.225 28.738 -0.030 0.000 1.064 425 Q HN 0.583 nan 8.270 nan 0.000 0.511 426 A N 1.190 124.025 122.820 0.024 0.000 2.498 426 A HA 0.032 4.352 4.320 -0.001 0.000 0.239 426 A C 0.859 178.444 177.584 0.000 0.000 1.068 426 A CA -0.077 51.992 52.037 0.053 0.000 0.766 426 A CB 0.415 19.542 19.000 0.210 0.000 1.003 426 A HN 0.046 nan 8.150 nan 0.000 0.497 427 E N -0.013 120.122 120.200 -0.109 0.000 2.110 427 E HA -0.040 4.309 4.350 -0.001 0.000 0.193 427 E C 0.704 177.280 176.600 -0.040 0.000 0.988 427 E CA 1.716 57.946 56.400 -0.283 0.000 0.804 427 E CB -0.377 28.758 29.700 -0.942 0.000 0.745 427 E HN 0.937 nan 8.360 nan 0.000 0.458 428 C N -3.023 116.337 119.300 0.100 0.000 3.275 428 C HA 0.675 5.134 4.460 -0.001 0.000 0.340 428 C C 0.089 175.105 174.990 0.043 0.000 1.366 428 C CA -0.649 58.429 59.018 0.099 0.000 1.227 428 C CB 1.030 28.860 27.740 0.151 0.000 1.512 428 C HN 0.276 nan 8.230 nan 0.000 0.461 429 T N -0.721 113.709 114.554 -0.207 0.000 2.897 429 T HA 0.663 5.013 4.350 -0.001 0.000 0.278 429 T C 1.163 175.266 174.700 -0.995 0.000 0.981 429 T CA 0.209 61.886 62.100 -0.704 0.000 0.973 429 T CB 1.326 69.862 68.868 -0.554 0.000 1.092 429 T HN 2.063 nan 8.240 nan 0.000 0.543 430 A N 0.091 122.112 122.820 -1.331 0.000 1.929 430 A HA -0.000 4.319 4.320 -0.001 0.000 0.216 430 A C 2.322 179.557 177.584 -0.582 0.000 1.176 430 A CA 0.973 52.367 52.037 -1.072 0.000 0.628 430 A CB -0.909 17.922 19.000 -0.282 0.000 0.816 430 A HN 0.915 nan 8.150 nan 0.000 0.444 431 E N 0.184 120.161 120.200 -0.371 0.000 2.058 431 E HA -0.229 4.120 4.350 -0.001 0.000 0.194 431 E C 1.961 178.439 176.600 -0.202 0.000 0.997 431 E CA 1.691 57.993 56.400 -0.163 0.000 0.801 431 E CB -0.284 29.350 29.700 -0.110 0.000 0.746 431 E HN 0.773 nan 8.360 nan 0.000 0.450 432 E N 0.577 120.610 120.200 -0.278 0.000 2.058 432 E HA -0.180 4.169 4.350 -0.001 0.000 0.194 432 E C 2.079 178.507 176.600 -0.287 0.000 0.997 432 E CA 1.115 57.379 56.400 -0.225 0.000 0.801 432 E CB -0.166 29.420 29.700 -0.190 0.000 0.746 432 E HN 0.211 nan 8.360 nan 0.000 0.450 433 A N 0.716 123.231 122.820 -0.508 0.000 1.858 433 A HA -0.205 4.115 4.320 -0.001 0.000 0.216 433 A C 1.983 179.259 177.584 -0.514 0.000 1.190 433 A CA 1.451 53.134 52.037 -0.589 0.000 0.617 433 A CB -1.006 17.346 19.000 -1.079 0.000 0.827 433 A HN 0.307 nan 8.150 nan 0.000 0.443 434 Y N 0.284 120.343 120.300 -0.401 0.000 2.200 434 Y HA -0.170 4.380 4.550 -0.001 0.000 0.290 434 Y C 3.057 178.799 175.900 -0.263 0.000 1.137 434 Y CA 1.584 59.447 58.100 -0.394 0.000 1.163 434 Y CB -0.580 37.635 38.460 -0.408 0.000 0.988 434 Y HN 0.284 nan 8.280 nan 0.000 0.518 435 T N 0.314 114.848 114.554 -0.034 0.000 2.701 435 T HA -0.156 4.194 4.350 -0.001 0.000 0.263 435 T C 1.599 176.269 174.700 -0.049 0.000 1.040 435 T CA 1.234 63.320 62.100 -0.024 0.000 1.147 435 T CB -0.505 68.349 68.868 -0.024 0.000 0.865 435 T HN 0.049 nan 8.240 nan 0.000 0.426 436 L N 1.650 122.823 121.223 -0.083 0.000 2.549 436 L HA 0.052 4.392 4.340 -0.001 0.000 0.229 436 L C 2.309 179.131 176.870 -0.080 0.000 1.158 436 L CA 1.226 56.020 54.840 -0.077 0.000 0.842 436 L CB -0.890 41.117 42.059 -0.087 0.000 0.952 436 L HN 0.465 nan 8.230 nan 0.000 0.452 437 T N -5.942 108.556 114.554 -0.094 0.000 3.040 437 T HA 0.186 4.536 4.350 -0.001 0.000 0.266 437 T C 0.545 175.210 174.700 -0.059 0.000 1.005 437 T CA -0.246 61.803 62.100 -0.085 0.000 0.906 437 T CB -0.072 68.727 68.868 -0.114 0.000 1.082 437 T HN 0.296 nan 8.240 nan 0.000 0.531 438 E N 0.861 121.035 120.200 -0.043 0.000 2.389 438 E HA -0.204 4.145 4.350 -0.001 0.000 0.243 438 E C 0.987 177.587 176.600 0.001 0.000 1.154 438 E CA 0.363 56.760 56.400 -0.004 0.000 0.723 438 E CB -1.950 27.755 29.700 0.008 0.000 1.261 438 E HN 0.984 nan 8.360 nan 0.000 0.390 439 G N -0.023 108.711 108.800 -0.109 0.000 2.155 439 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.257 439 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.257 439 G C 0.714 175.523 174.900 -0.153 0.000 0.983 439 G CA 0.688 45.581 45.100 -0.345 0.000 0.676 439 G HN 0.412 nan 8.290 nan 0.000 0.528 440 R N -0.449 120.012 120.500 -0.065 0.000 2.300 440 R HA 0.212 4.551 4.340 -0.001 0.000 0.199 440 R C 1.914 178.210 176.300 -0.007 0.000 0.920 440 R CA 0.706 56.802 56.100 -0.007 0.000 1.046 440 R CB -0.097 30.200 30.300 -0.005 0.000 0.984 440 R HN 0.774 nan 8.270 nan 0.000 0.493 441 C N -0.278 118.994 119.300 -0.047 0.000 2.422 441 C HA 0.549 5.009 4.460 -0.001 0.000 0.364 441 C C 0.396 175.428 174.990 0.070 0.000 1.251 441 C CA -1.211 57.794 59.018 -0.022 0.000 2.441 441 C CB 0.147 27.826 27.740 -0.101 0.000 2.393 441 C HN 0.199 nan 8.230 nan 0.000 0.606 442 L N 2.495 123.792 121.223 0.124 0.000 2.295 442 L HA 0.461 4.801 4.340 -0.001 0.000 0.281 442 L C -0.420 176.619 176.870 0.282 0.000 1.018 442 L CA -0.068 54.901 54.840 0.214 0.000 0.841 442 L CB 0.564 42.735 42.059 0.187 0.000 1.218 442 L HN 0.761 nan 8.230 nan 0.000 0.424 443 F N 3.460 123.439 119.950 0.048 0.000 2.458 443 F HA 0.821 5.348 4.527 -0.000 0.000 0.330 443 F C -0.218 175.571 175.800 -0.018 0.000 1.082 443 F CA -0.529 57.448 58.000 -0.039 0.000 0.995 443 F CB 1.654 40.400 39.000 -0.423 0.000 1.170 443 F HN 0.413 nan 8.300 nan 0.000 0.478 444 A N 2.985 125.100 122.820 -1.175 0.000 2.547 444 A HA 0.717 5.037 4.320 -0.001 0.000 0.297 444 A C -1.381 175.474 177.584 -1.216 0.000 1.056 444 A CA -0.170 51.232 52.037 -1.059 0.000 0.688 444 A CB 1.282 19.541 19.000 -1.237 0.000 1.282 444 A HN 1.115 nan 8.150 nan 0.000 0.400 445 S N 0.077 115.399 115.700 -0.630 0.000 2.595 445 S HA 0.697 5.167 4.470 -0.001 0.000 0.281 445 S C 0.813 175.334 174.600 -0.131 0.000 1.117 445 S CA -0.037 57.996 58.200 -0.278 0.000 0.873 445 S CB 1.403 64.696 63.200 0.154 0.000 1.108 445 S HN 1.782 nan 8.310 nan 0.000 0.477 446 G N 0.807 109.567 108.800 -0.067 0.000 2.403 446 G HA2 0.190 4.150 3.960 -0.001 0.000 0.216 446 G HA3 0.190 4.150 3.960 -0.001 0.000 0.216 446 G C 0.334 175.194 174.900 -0.067 0.000 1.154 446 G CA 0.285 45.352 45.100 -0.055 0.000 0.784 446 G HN 0.723 nan 8.290 nan 0.000 0.538 447 S N 1.265 116.903 115.700 -0.103 0.000 2.651 447 S HA 0.530 5.000 4.470 -0.001 0.000 0.291 447 S C -2.545 171.891 174.600 -0.273 0.000 1.141 447 S CA -1.058 57.018 58.200 -0.206 0.000 1.027 447 S CB 2.277 65.302 63.200 -0.292 0.000 1.043 447 S HN 0.094 nan 8.310 nan 0.000 0.530 448 P HA 0.356 nan 4.420 nan 0.000 0.275 448 P C -1.310 175.791 177.300 -0.332 0.000 1.227 448 P CA -0.082 62.926 63.100 -0.153 0.000 0.781 448 P CB 0.205 31.875 31.700 -0.049 0.000 0.906 449 F N 0.400 120.434 119.950 0.141 0.000 2.581 449 F HA 0.431 4.958 4.527 -0.001 0.000 0.311 449 F C 1.130 177.021 175.800 0.151 0.000 1.113 449 F CA -0.688 57.404 58.000 0.154 0.000 0.935 449 F CB 2.144 41.274 39.000 0.216 0.000 1.232 449 F HN 0.332 nan 8.300 nan 0.000 0.445 450 G N 2.122 111.118 108.800 0.327 0.000 2.653 450 G HA2 0.450 4.409 3.960 -0.001 0.000 0.265 450 G HA3 0.450 4.409 3.960 -0.001 0.000 0.265 450 G C -2.731 172.298 174.900 0.215 0.000 1.237 450 G CA -1.156 44.075 45.100 0.219 0.000 0.946 450 G HN 0.300 nan 8.290 nan 0.000 0.522 451 P HA 0.281 nan 4.420 nan 0.000 0.269 451 P C -0.614 176.746 177.300 0.100 0.000 1.215 451 P CA -0.340 62.829 63.100 0.115 0.000 0.780 451 P CB 1.074 32.812 31.700 0.063 0.000 0.898 452 V N 2.732 122.691 119.914 0.075 0.000 2.448 452 V HA 0.350 4.469 4.120 -0.001 0.000 0.295 452 V C 0.133 176.262 176.094 0.059 0.000 1.025 452 V CA -0.476 61.872 62.300 0.080 0.000 0.859 452 V CB 1.388 33.289 31.823 0.130 0.000 0.988 452 V HN 0.427 nan 8.190 nan 0.000 0.431 453 K N 5.325 125.755 120.400 0.050 0.000 2.339 453 K HA 0.603 4.923 4.320 -0.001 0.000 0.264 453 K C -0.789 175.846 176.600 0.058 0.000 0.986 453 K CA -0.591 55.711 56.287 0.025 0.000 0.866 453 K CB 1.075 33.576 32.500 0.001 0.000 1.103 453 K HN 0.603 nan 8.250 nan 0.000 0.441 454 L N 2.732 124.008 121.223 0.089 0.000 2.466 454 L HA 0.104 4.444 4.340 -0.001 0.000 0.257 454 L C 1.997 178.897 176.870 0.050 0.000 1.189 454 L CA -0.207 54.691 54.840 0.097 0.000 0.813 454 L CB 1.043 43.199 42.059 0.162 0.000 1.118 454 L HN 0.864 nan 8.230 nan 0.000 0.471 455 T N -2.984 111.595 114.554 0.042 0.000 2.897 455 T HA -0.187 4.163 4.350 -0.001 0.000 0.271 455 T C 0.966 175.678 174.700 0.021 0.000 1.084 455 T CA 1.343 63.459 62.100 0.026 0.000 1.123 455 T CB -0.539 68.342 68.868 0.022 0.000 0.865 455 T HN 0.792 nan 8.240 nan 0.000 0.496 456 D N 0.397 120.814 120.400 0.028 0.000 2.349 456 D HA 0.315 4.954 4.640 -0.001 0.000 0.224 456 D C 1.672 177.973 176.300 0.002 0.000 1.029 456 D CA 0.562 54.573 54.000 0.018 0.000 0.879 456 D CB -0.550 40.267 40.800 0.028 0.000 0.906 456 D HN 0.562 nan 8.370 nan 0.000 0.528 457 G N -0.089 108.709 108.800 -0.003 0.000 2.232 457 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.226 457 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.226 457 G C 0.298 175.156 174.900 -0.070 0.000 0.996 457 G CA -0.268 44.815 45.100 -0.028 0.000 0.626 457 G HN 0.400 nan 8.290 nan 0.000 0.509 458 R N 0.243 120.692 120.500 -0.084 0.000 2.537 458 R HA 0.468 4.807 4.340 -0.001 0.000 0.280 458 R C -0.033 176.061 176.300 -0.343 0.000 1.058 458 R CA 0.079 56.040 56.100 -0.232 0.000 1.057 458 R CB 1.227 31.391 30.300 -0.227 0.000 0.973 458 R HN 0.110 nan 8.270 nan 0.000 0.438 459 V N 4.941 124.567 119.914 -0.480 0.000 2.417 459 V HA 0.380 4.500 4.120 -0.001 0.000 0.291 459 V C -0.651 175.030 176.094 -0.689 0.000 1.024 459 V CA -0.550 61.505 62.300 -0.409 0.000 0.861 459 V CB 1.017 32.712 31.823 -0.215 0.000 0.985 459 V HN 0.494 nan 8.190 nan 0.000 0.436 460 F N 1.699 121.487 119.950 -0.271 0.000 2.458 460 F HA 0.559 5.086 4.527 -0.001 0.000 0.336 460 F C 0.657 176.303 175.800 -0.257 0.000 1.114 460 F CA -0.526 57.214 58.000 -0.433 0.000 0.987 460 F CB 2.160 40.450 39.000 -1.184 0.000 1.130 460 F HN 0.300 nan 8.300 nan 0.000 0.458 461 T N 5.089 119.676 114.554 0.054 0.000 2.963 461 T HA 0.289 4.638 4.350 -0.001 0.000 0.343 461 T C -2.658 172.197 174.700 0.257 0.000 1.146 461 T CA -1.438 60.744 62.100 0.136 0.000 1.016 461 T CB 0.696 69.621 68.868 0.095 0.000 1.046 461 T HN 0.214 nan 8.240 nan 0.000 0.496 462 P HA 0.278 nan 4.420 nan 0.000 0.271 462 P C 0.278 177.778 177.300 0.334 0.000 1.216 462 P CA -0.115 63.285 63.100 0.500 0.000 0.776 462 P CB 0.946 33.083 31.700 0.729 0.000 0.881 463 G N 2.122 111.085 108.800 0.270 0.000 2.477 463 G HA2 0.270 4.229 3.960 -0.001 0.000 0.304 463 G HA3 0.270 4.229 3.960 -0.001 0.000 0.304 463 G C -0.886 174.089 174.900 0.126 0.000 1.175 463 G CA -0.508 44.739 45.100 0.244 0.000 0.907 463 G HN 0.531 nan 8.290 nan 0.000 0.509 464 Q N -0.002 119.832 119.800 0.057 0.000 2.400 464 Q HA 0.416 4.756 4.340 -0.001 0.000 0.255 464 Q C 0.329 176.088 176.000 -0.402 0.000 1.008 464 Q CA -0.558 55.209 55.803 -0.061 0.000 0.841 464 Q CB 1.198 29.986 28.738 0.083 0.000 1.220 464 Q HN 0.588 nan 8.270 nan 0.000 0.474 465 G N 4.075 112.592 108.800 -0.472 0.000 3.209 465 G HA2 0.033 3.992 3.960 -0.001 0.000 0.274 465 G HA3 0.033 3.992 3.960 -0.001 0.000 0.274 465 G C -0.322 174.451 174.900 -0.213 0.000 0.850 465 G CA -0.198 44.532 45.100 -0.617 0.000 1.907 465 G HN 0.487 nan 8.290 nan 0.000 0.591 466 N N 1.213 119.858 118.700 -0.092 0.000 2.269 466 N HA 0.036 4.776 4.740 -0.001 0.000 0.304 466 N C 0.977 176.596 175.510 0.182 0.000 1.072 466 N CA -0.646 52.464 53.050 0.099 0.000 0.802 466 N CB 1.359 39.952 38.487 0.176 0.000 1.348 466 N HN 0.244 nan 8.380 nan 0.000 0.484 467 N N 2.050 120.902 118.700 0.253 0.000 2.651 467 N HA -0.141 4.598 4.740 -0.001 0.000 0.193 467 N C 1.343 176.997 175.510 0.239 0.000 1.149 467 N CA 0.483 53.725 53.050 0.319 0.000 0.933 467 N CB -0.150 38.595 38.487 0.431 0.000 0.974 467 N HN 0.279 nan 8.380 nan 0.000 0.448 468 V N -0.612 119.364 119.914 0.102 0.000 2.759 468 V HA -0.156 3.964 4.120 -0.001 0.000 0.256 468 V C 1.009 176.794 176.094 -0.515 0.000 1.080 468 V CA 1.252 63.301 62.300 -0.419 0.000 1.101 468 V CB -0.740 30.854 31.823 -0.382 0.000 0.698 468 V HN 0.323 nan 8.190 nan 0.000 0.477 469 Y N -0.900 119.258 120.300 -0.236 0.000 2.616 469 Y HA 0.047 4.596 4.550 -0.001 0.000 0.296 469 Y C 1.974 177.775 175.900 -0.166 0.000 1.154 469 Y CA 0.894 58.885 58.100 -0.182 0.000 1.325 469 Y CB 0.344 38.740 38.460 -0.108 0.000 1.007 469 Y HN 0.248 nan 8.280 nan 0.000 0.542 470 I N -2.015 118.531 120.570 -0.041 0.000 3.534 470 I HA -0.108 4.061 4.170 -0.001 0.000 0.251 470 I C 2.109 178.183 176.117 -0.071 0.000 1.136 470 I CA 0.534 61.837 61.300 0.006 0.000 1.475 470 I CB -1.411 36.692 38.000 0.173 0.000 1.526 470 I HN 0.154 nan 8.210 nan 0.000 0.454 471 F N 2.366 122.368 119.950 0.087 0.000 2.192 471 F HA -0.036 4.491 4.527 -0.001 0.000 0.301 471 F C -0.868 174.826 175.800 -0.176 0.000 1.079 471 F CA 0.967 59.003 58.000 0.060 0.000 1.303 471 F CB -2.778 36.400 39.000 0.297 0.000 1.024 471 F HN 0.087 nan 8.300 nan 0.000 0.494 472 P HA -0.014 nan 4.420 nan 0.000 0.213 472 P C 2.153 179.269 177.300 -0.308 0.000 1.170 472 P CA 2.360 65.178 63.100 -0.470 0.000 0.893 472 P CB -0.455 30.945 31.700 -0.500 0.000 0.784 473 G N -0.400 108.259 108.800 -0.236 0.000 2.418 473 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.217 473 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.217 473 G C 1.639 176.449 174.900 -0.151 0.000 1.158 473 G CA 0.722 45.728 45.100 -0.156 0.000 0.771 473 G HN 0.138 nan 8.290 nan 0.000 0.545 474 V N 1.461 121.268 119.914 -0.177 0.000 2.358 474 V HA -0.095 4.024 4.120 -0.001 0.000 0.246 474 V C 3.316 179.293 176.094 -0.194 0.000 1.047 474 V CA 1.925 64.087 62.300 -0.230 0.000 1.035 474 V CB -0.751 30.855 31.823 -0.362 0.000 0.658 474 V HN 0.470 nan 8.190 nan 0.000 0.452 475 A N -0.161 122.556 122.820 -0.172 0.000 1.902 475 A HA -0.210 4.110 4.320 -0.001 0.000 0.217 475 A C 2.164 179.705 177.584 -0.072 0.000 1.181 475 A CA 2.127 54.104 52.037 -0.100 0.000 0.623 475 A CB -0.568 18.259 19.000 -0.288 0.000 0.818 475 A HN 0.455 nan 8.150 nan 0.000 0.443 476 L N -0.249 120.905 121.223 -0.114 0.000 2.017 476 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 476 L C 2.690 179.548 176.870 -0.020 0.000 1.073 476 L CA 2.276 57.080 54.840 -0.060 0.000 0.745 476 L CB -0.839 41.175 42.059 -0.075 0.000 0.894 476 L HN 0.338 nan 8.230 nan 0.000 0.432 477 A N -1.097 121.704 122.820 -0.031 0.000 1.877 477 A HA -0.162 4.158 4.320 -0.001 0.000 0.216 477 A C 2.269 179.859 177.584 0.009 0.000 1.186 477 A CA 2.104 54.145 52.037 0.006 0.000 0.620 477 A CB -1.196 17.793 19.000 -0.019 0.000 0.822 477 A HN 0.313 nan 8.150 nan 0.000 0.443 478 V N 0.091 119.991 119.914 -0.023 0.000 2.343 478 V HA -0.281 3.839 4.120 -0.001 0.000 0.247 478 V C 2.422 178.539 176.094 0.038 0.000 1.051 478 V CA 2.098 64.396 62.300 -0.003 0.000 1.036 478 V CB -0.670 31.150 31.823 -0.006 0.000 0.654 478 V HN 0.567 nan 8.190 nan 0.000 0.451 479 I N -0.581 120.017 120.570 0.045 0.000 2.163 479 I HA -0.240 3.930 4.170 -0.001 0.000 0.240 479 I C 2.299 178.461 176.117 0.076 0.000 1.081 479 I CA 1.576 62.910 61.300 0.056 0.000 1.353 479 I CB -0.301 37.725 38.000 0.043 0.000 1.054 479 I HN 0.231 nan 8.210 nan 0.000 0.407 480 L N -0.216 121.062 121.223 0.090 0.000 2.131 480 L HA -0.241 4.099 4.340 -0.001 0.000 0.210 480 L C 2.259 179.276 176.870 0.245 0.000 1.092 480 L CA 1.024 55.971 54.840 0.178 0.000 0.759 480 L CB -0.628 41.550 42.059 0.198 0.000 0.903 480 L HN 0.419 nan 8.230 nan 0.000 0.435 481 C N -0.340 119.040 119.300 0.133 0.000 2.626 481 C HA 0.099 4.559 4.460 -0.001 0.000 0.266 481 C C 1.117 176.121 174.990 0.023 0.000 1.317 481 C CA -0.340 58.682 59.018 0.006 0.000 1.716 481 C CB -1.915 25.720 27.740 -0.175 0.000 1.819 481 C HN 0.624 nan 8.230 nan 0.000 0.578 482 N N 0.507 119.262 118.700 0.092 0.000 2.740 482 N HA -0.144 4.596 4.740 -0.001 0.000 0.248 482 N C -0.473 175.127 175.510 0.149 0.000 1.062 482 N CA 0.234 53.359 53.050 0.125 0.000 0.704 482 N CB -0.819 37.772 38.487 0.173 0.000 0.968 482 N HN 0.487 nan 8.380 nan 0.000 0.547 483 T N -0.135 114.476 114.554 0.095 0.000 2.916 483 T HA 0.100 4.449 4.350 -0.001 0.000 0.303 483 T C 1.532 176.262 174.700 0.050 0.000 1.025 483 T CA 0.014 62.181 62.100 0.110 0.000 1.142 483 T CB 1.206 70.101 68.868 0.045 0.000 0.947 483 T HN 0.217 nan 8.240 nan 0.000 0.544 484 R N 1.080 121.580 120.500 -0.001 0.000 2.128 484 R HA 0.130 4.470 4.340 -0.001 0.000 0.211 484 R C 0.085 176.005 176.300 -0.633 0.000 1.067 484 R CA 0.681 56.575 56.100 -0.344 0.000 1.010 484 R CB 0.197 30.204 30.300 -0.489 0.000 0.922 484 R HN 0.686 nan 8.270 nan 0.000 0.457 485 H N -1.174 117.972 119.070 0.127 0.000 2.961 485 H HA 0.413 4.968 4.556 -0.002 0.000 0.371 485 H C -1.133 174.278 175.328 0.137 0.000 1.190 485 H CA -0.754 55.374 56.048 0.133 0.000 1.138 485 H CB 2.233 32.063 29.762 0.112 0.000 1.816 485 H HN -0.121 nan 8.280 nan 0.000 0.551 486 I N 2.370 123.106 120.570 0.276 0.000 2.354 486 I HA 0.242 4.412 4.170 -0.001 0.000 0.286 486 I C 0.135 176.395 176.117 0.238 0.000 1.007 486 I CA -0.585 60.835 61.300 0.200 0.000 1.167 486 I CB 1.213 39.325 38.000 0.186 0.000 1.320 486 I HN 0.592 nan 8.210 nan 0.000 0.458 487 S N 3.117 118.933 115.700 0.193 0.000 2.632 487 S HA 0.224 4.693 4.470 -0.001 0.000 0.267 487 S C 0.651 175.397 174.600 0.243 0.000 1.276 487 S CA -0.689 57.633 58.200 0.202 0.000 0.998 487 S CB 1.498 64.805 63.200 0.180 0.000 0.953 487 S HN 0.570 nan 8.310 nan 0.000 0.547 488 D N 0.899 121.448 120.400 0.248 0.000 2.312 488 D HA -0.061 4.578 4.640 -0.001 0.000 0.211 488 D C 1.910 178.345 176.300 0.225 0.000 0.964 488 D CA 1.324 55.506 54.000 0.304 0.000 0.877 488 D CB -0.168 40.755 40.800 0.203 0.000 0.924 488 D HN 0.732 nan 8.370 nan 0.000 0.515 489 S N -0.132 115.647 115.700 0.132 0.000 2.481 489 S HA -0.059 4.410 4.470 -0.001 0.000 0.231 489 S C 2.144 176.617 174.600 -0.212 0.000 0.996 489 S CA 0.222 58.437 58.200 0.026 0.000 0.942 489 S CB -0.209 63.064 63.200 0.121 0.000 0.768 489 S HN 0.018 nan 8.310 nan 0.000 0.520 490 V N 0.979 120.780 119.914 -0.188 0.000 2.307 490 V HA -0.077 4.043 4.120 -0.001 0.000 0.245 490 V C 2.107 177.932 176.094 -0.448 0.000 1.045 490 V CA 1.726 63.764 62.300 -0.436 0.000 1.024 490 V CB -1.009 30.549 31.823 -0.442 0.000 0.651 490 V HN 0.490 nan 8.190 nan 0.000 0.449 491 F N -0.642 119.228 119.950 -0.134 0.000 2.293 491 F HA -0.110 4.416 4.527 -0.001 0.000 0.300 491 F C 2.181 177.934 175.800 -0.078 0.000 1.086 491 F CA 1.228 59.172 58.000 -0.093 0.000 1.375 491 F CB -0.393 38.584 39.000 -0.039 0.000 1.045 491 F HN 0.052 nan 8.300 nan 0.000 0.516 492 L N -0.075 121.181 121.223 0.055 0.000 2.027 492 L HA -0.180 4.160 4.340 -0.001 0.000 0.206 492 L C 2.502 179.331 176.870 -0.068 0.000 1.074 492 L CA 1.458 56.305 54.840 0.012 0.000 0.745 492 L CB -0.270 41.788 42.059 -0.002 0.000 0.898 492 L HN 0.056 nan 8.230 nan 0.000 0.433 493 E N 0.118 120.191 120.200 -0.213 0.000 2.077 493 E HA -0.200 4.150 4.350 -0.001 0.000 0.193 493 E C 2.144 178.660 176.600 -0.139 0.000 0.989 493 E CA 1.313 57.567 56.400 -0.243 0.000 0.800 493 E CB -0.237 29.146 29.700 -0.529 0.000 0.746 493 E HN 0.576 nan 8.360 nan 0.000 0.452 494 A N 1.481 124.213 122.820 -0.145 0.000 1.933 494 A HA -0.118 4.202 4.320 -0.001 0.000 0.218 494 A C 2.427 180.010 177.584 -0.002 0.000 1.175 494 A CA 2.097 54.087 52.037 -0.079 0.000 0.628 494 A CB -0.584 18.356 19.000 -0.099 0.000 0.814 494 A HN 0.269 nan 8.150 nan 0.000 0.444 495 A N -0.049 122.788 122.820 0.029 0.000 1.883 495 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 495 A C 2.132 179.737 177.584 0.036 0.000 1.186 495 A CA 1.917 53.993 52.037 0.064 0.000 0.624 495 A CB -0.475 18.573 19.000 0.081 0.000 0.822 495 A HN 0.549 nan 8.150 nan 0.000 0.444 496 K N -0.496 119.910 120.400 0.010 0.000 2.097 496 K HA -0.027 4.292 4.320 -0.001 0.000 0.205 496 K C 2.293 178.897 176.600 0.006 0.000 1.050 496 K CA 1.038 57.329 56.287 0.006 0.000 0.938 496 K CB -0.307 32.191 32.500 -0.003 0.000 0.718 496 K HN 0.449 nan 8.250 nan 0.000 0.442 497 A N 1.462 124.282 122.820 -0.000 0.000 1.930 497 A HA -0.143 4.177 4.320 -0.001 0.000 0.217 497 A C 2.079 179.675 177.584 0.019 0.000 1.175 497 A CA 1.063 53.103 52.037 0.006 0.000 0.627 497 A CB -0.420 18.577 19.000 -0.005 0.000 0.815 497 A HN 0.237 nan 8.150 nan 0.000 0.443 498 L N -0.713 120.527 121.223 0.029 0.000 2.027 498 L HA -0.077 4.263 4.340 -0.001 0.000 0.206 498 L C 2.458 179.343 176.870 0.024 0.000 1.074 498 L CA 2.887 57.755 54.840 0.046 0.000 0.745 498 L CB -1.187 40.918 42.059 0.076 0.000 0.898 498 L HN 0.330 nan 8.230 nan 0.000 0.433 499 T N -1.520 113.038 114.554 0.008 0.000 2.915 499 T HA -0.119 4.231 4.350 -0.001 0.000 0.269 499 T C 2.036 176.730 174.700 -0.011 0.000 1.071 499 T CA 1.340 63.426 62.100 -0.023 0.000 1.132 499 T CB -0.414 68.434 68.868 -0.032 0.000 0.878 499 T HN 0.712 nan 8.240 nan 0.000 0.479 500 S N 0.387 116.089 115.700 0.004 0.000 2.507 500 S HA -0.045 4.425 4.470 -0.001 0.000 0.235 500 S C 1.774 176.381 174.600 0.012 0.000 0.988 500 S CA 0.661 58.866 58.200 0.008 0.000 0.944 500 S CB -0.405 62.802 63.200 0.012 0.000 0.762 500 S HN 0.685 nan 8.310 nan 0.000 0.526 501 Q N -0.040 119.769 119.800 0.015 0.000 2.392 501 Q HA 0.369 4.709 4.340 -0.001 0.000 0.203 501 Q C 0.192 176.204 176.000 0.021 0.000 0.917 501 Q CA -0.165 55.651 55.803 0.023 0.000 0.939 501 Q CB 0.159 28.919 28.738 0.036 0.000 1.063 501 Q HN 0.522 nan 8.270 nan 0.000 0.516 502 L N 2.979 124.208 121.223 0.009 0.000 2.410 502 L HA 0.079 4.418 4.340 -0.001 0.000 0.273 502 L C 0.395 177.271 176.870 0.010 0.000 1.144 502 L CA -0.093 54.750 54.840 0.005 0.000 0.863 502 L CB 0.751 42.796 42.059 -0.023 0.000 1.140 502 L HN 0.132 nan 8.230 nan 0.000 0.463 503 T N -0.558 114.007 114.554 0.018 0.000 2.909 503 T HA 0.130 4.480 4.350 -0.001 0.000 0.289 503 T C 0.861 175.571 174.700 0.017 0.000 1.005 503 T CA -0.919 61.191 62.100 0.017 0.000 1.084 503 T CB 1.190 70.070 68.868 0.020 0.000 0.975 503 T HN 0.555 nan 8.240 nan 0.000 0.509 504 D N 1.254 121.662 120.400 0.015 0.000 2.221 504 D HA -0.134 4.506 4.640 -0.001 0.000 0.204 504 D C 1.903 178.214 176.300 0.018 0.000 0.982 504 D CA 1.104 55.114 54.000 0.016 0.000 0.857 504 D CB 0.215 41.023 40.800 0.014 0.000 0.934 504 D HN 0.745 nan 8.370 nan 0.000 0.475 505 E N 1.217 121.426 120.200 0.016 0.000 2.072 505 E HA -0.166 4.184 4.350 -0.001 0.000 0.191 505 E C 1.915 178.528 176.600 0.021 0.000 0.985 505 E CA 0.744 57.153 56.400 0.015 0.000 0.801 505 E CB -0.482 29.226 29.700 0.013 0.000 0.750 505 E HN 0.360 nan 8.360 nan 0.000 0.452 506 E N 0.658 120.874 120.200 0.028 0.000 2.106 506 E HA -0.095 4.255 4.350 -0.001 0.000 0.192 506 E C 1.939 178.567 176.600 0.046 0.000 0.984 506 E CA 0.262 56.686 56.400 0.039 0.000 0.806 506 E CB -0.108 29.619 29.700 0.045 0.000 0.750 506 E HN 0.025 nan 8.360 nan 0.000 0.458 507 L N 0.558 121.803 121.223 0.037 0.000 2.046 507 L HA -0.096 4.244 4.340 -0.001 0.000 0.208 507 L C 2.068 178.974 176.870 0.060 0.000 1.077 507 L CA 1.920 56.787 54.840 0.044 0.000 0.747 507 L CB -0.848 41.229 42.059 0.030 0.000 0.896 507 L HN 0.110 nan 8.230 nan 0.000 0.432 508 A N -1.201 121.645 122.820 0.043 0.000 1.940 508 A HA -0.272 4.048 4.320 -0.001 0.000 0.219 508 A C 2.125 179.730 177.584 0.034 0.000 1.176 508 A CA 1.797 53.856 52.037 0.037 0.000 0.631 508 A CB -0.532 18.477 19.000 0.015 0.000 0.814 508 A HN 0.649 nan 8.150 nan 0.000 0.446 509 Q N -1.901 117.917 119.800 0.030 0.000 2.364 509 Q HA 0.198 4.537 4.340 -0.001 0.000 0.207 509 Q C 1.272 177.321 176.000 0.081 0.000 0.970 509 Q CA 0.748 56.559 55.803 0.014 0.000 0.888 509 Q CB -0.057 28.695 28.738 0.024 0.000 0.951 509 Q HN 0.926 nan 8.270 nan 0.000 0.469 510 G N 0.619 109.507 108.800 0.146 0.000 2.192 510 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.193 510 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.193 510 G C -0.231 174.806 174.900 0.227 0.000 0.999 510 G CA -0.615 44.636 45.100 0.252 0.000 0.659 510 G HN 0.138 nan 8.290 nan 0.000 0.503 511 R N 0.110 120.703 120.500 0.154 0.000 2.347 511 R HA 0.542 4.881 4.340 -0.001 0.000 0.304 511 R C 1.198 177.534 176.300 0.059 0.000 1.072 511 R CA -0.271 55.909 56.100 0.134 0.000 0.980 511 R CB 0.572 30.941 30.300 0.114 0.000 0.986 511 R HN 0.246 nan 8.270 nan 0.000 0.448 512 L N 3.151 124.375 121.223 0.003 0.000 2.640 512 L HA 0.220 4.560 4.340 -0.001 0.000 0.230 512 L C -0.478 176.040 176.870 -0.587 0.000 1.123 512 L CA 0.172 54.860 54.840 -0.254 0.000 0.900 512 L CB 0.148 42.020 42.059 -0.313 0.000 1.146 512 L HN 0.577 nan 8.230 nan 0.000 0.484 513 Y N -1.614 118.630 120.300 -0.094 0.000 2.562 513 Y HA 0.433 4.982 4.550 -0.001 0.000 0.345 513 Y C -2.405 173.421 175.900 -0.123 0.000 1.045 513 Y CA -2.797 55.166 58.100 -0.229 0.000 1.028 513 Y CB 0.923 39.070 38.460 -0.521 0.000 1.297 513 Y HN -0.229 nan 8.280 nan 0.000 0.463 514 P HA 0.085 nan 4.420 nan 0.000 0.267 514 P C -2.591 174.848 177.300 0.231 0.000 1.200 514 P CA -0.860 62.318 63.100 0.130 0.000 0.772 514 P CB 0.047 31.836 31.700 0.149 0.000 0.855 515 P HA -0.069 nan 4.420 nan 0.000 0.264 515 P C 0.784 178.205 177.300 0.202 0.000 1.183 515 P CA 0.069 63.274 63.100 0.175 0.000 0.763 515 P CB 0.295 32.060 31.700 0.108 0.000 0.807 516 L N 4.630 125.964 121.223 0.185 0.000 2.191 516 L HA -0.165 4.175 4.340 -0.001 0.000 0.212 516 L C 2.079 178.951 176.870 0.003 0.000 1.103 516 L CA 1.931 56.808 54.840 0.063 0.000 0.769 516 L CB -1.436 40.646 42.059 0.039 0.000 0.908 516 L HN 0.433 nan 8.230 nan 0.000 0.438 517 A N -0.687 122.155 122.820 0.037 0.000 2.019 517 A HA -0.158 4.162 4.320 -0.001 0.000 0.219 517 A C 1.609 179.197 177.584 0.006 0.000 1.164 517 A CA 1.657 53.704 52.037 0.016 0.000 0.644 517 A CB -0.547 18.469 19.000 0.028 0.000 0.805 517 A HN 0.607 nan 8.150 nan 0.000 0.449 518 N N -0.500 118.215 118.700 0.026 0.000 2.279 518 N HA 0.095 4.835 4.740 -0.001 0.000 0.226 518 N C 0.871 176.384 175.510 0.006 0.000 1.126 518 N CA -0.096 52.966 53.050 0.021 0.000 0.846 518 N CB 0.295 38.808 38.487 0.044 0.000 1.050 518 N HN 0.410 nan 8.380 nan 0.000 0.502 519 I N 1.415 121.958 120.570 -0.044 0.000 2.315 519 I HA -0.318 3.852 4.170 -0.001 0.000 0.251 519 I C 1.831 177.893 176.117 -0.093 0.000 1.125 519 I CA 1.689 62.919 61.300 -0.116 0.000 1.392 519 I CB 0.143 37.991 38.000 -0.253 0.000 1.065 519 I HN 0.043 nan 8.210 nan 0.000 0.424 520 Q N 0.161 119.919 119.800 -0.071 0.000 2.002 520 Q HA -0.261 4.078 4.340 -0.001 0.000 0.204 520 Q C 2.318 178.293 176.000 -0.042 0.000 0.988 520 Q CA 2.320 58.087 55.803 -0.060 0.000 0.843 520 Q CB -0.493 28.217 28.738 -0.047 0.000 0.908 520 Q HN 0.618 nan 8.270 nan 0.000 0.420 521 E N -0.097 120.088 120.200 -0.024 0.000 2.077 521 E HA -0.180 4.170 4.350 -0.001 0.000 0.193 521 E C 1.913 178.512 176.600 -0.001 0.000 0.989 521 E CA 1.205 57.599 56.400 -0.011 0.000 0.800 521 E CB 0.090 29.789 29.700 -0.001 0.000 0.746 521 E HN 0.161 nan 8.360 nan 0.000 0.452 522 V N 0.557 120.480 119.914 0.015 0.000 2.332 522 V HA -0.259 3.861 4.120 -0.001 0.000 0.248 522 V C 2.365 178.468 176.094 0.014 0.000 1.055 522 V CA 1.959 64.284 62.300 0.042 0.000 1.038 522 V CB -0.399 31.492 31.823 0.114 0.000 0.651 522 V HN 0.256 nan 8.190 nan 0.000 0.450 523 S N -0.214 115.469 115.700 -0.027 0.000 2.368 523 S HA -0.107 4.363 4.470 -0.001 0.000 0.225 523 S C 1.897 176.464 174.600 -0.054 0.000 1.030 523 S CA 1.274 59.434 58.200 -0.066 0.000 0.999 523 S CB -0.230 62.897 63.200 -0.122 0.000 0.844 523 S HN 0.399 nan 8.310 nan 0.000 0.459 524 I N 2.556 123.101 120.570 -0.041 0.000 2.252 524 I HA -0.110 4.059 4.170 -0.001 0.000 0.245 524 I C 1.892 178.001 176.117 -0.015 0.000 1.102 524 I CA 1.138 62.419 61.300 -0.031 0.000 1.385 524 I CB -1.520 36.463 38.000 -0.027 0.000 1.064 524 I HN 0.258 nan 8.210 nan 0.000 0.414 525 N N 1.074 119.771 118.700 -0.005 0.000 2.166 525 N HA -0.090 4.649 4.740 -0.001 0.000 0.186 525 N C 1.992 177.505 175.510 0.005 0.000 1.019 525 N CA 1.077 54.131 53.050 0.006 0.000 0.856 525 N CB -0.158 38.337 38.487 0.013 0.000 0.993 525 N HN 0.366 nan 8.380 nan 0.000 0.426 526 I N 0.899 121.467 120.570 -0.004 0.000 2.252 526 I HA -0.204 3.965 4.170 -0.001 0.000 0.245 526 I C 2.247 178.349 176.117 -0.026 0.000 1.102 526 I CA 0.781 62.072 61.300 -0.015 0.000 1.385 526 I CB -0.263 37.723 38.000 -0.023 0.000 1.064 526 I HN 0.054 nan 8.210 nan 0.000 0.414 527 A N 1.173 123.975 122.820 -0.030 0.000 1.902 527 A HA -0.185 4.135 4.320 -0.001 0.000 0.217 527 A C 2.277 179.872 177.584 0.019 0.000 1.181 527 A CA 1.474 53.497 52.037 -0.023 0.000 0.623 527 A CB -0.784 18.197 19.000 -0.032 0.000 0.818 527 A HN 0.368 nan 8.150 nan 0.000 0.443 528 I N -0.579 120.008 120.570 0.028 0.000 2.179 528 I HA -0.263 3.907 4.170 -0.001 0.000 0.242 528 I C 2.388 178.544 176.117 0.064 0.000 1.088 528 I CA 1.340 62.674 61.300 0.057 0.000 1.357 528 I CB -0.281 37.745 38.000 0.043 0.000 1.051 528 I HN 0.168 nan 8.210 nan 0.000 0.409 529 K N 0.590 121.016 120.400 0.043 0.000 2.057 529 K HA -0.098 4.221 4.320 -0.001 0.000 0.207 529 K C 2.110 178.752 176.600 0.071 0.000 1.049 529 K CA 1.135 57.452 56.287 0.050 0.000 0.931 529 K CB -0.726 31.789 32.500 0.025 0.000 0.714 529 K HN 0.223 nan 8.250 nan 0.000 0.440 530 V N 1.822 121.756 119.914 0.034 0.000 2.515 530 V HA -0.211 3.909 4.120 -0.001 0.000 0.250 530 V C 2.572 178.728 176.094 0.102 0.000 1.058 530 V CA 2.215 64.535 62.300 0.034 0.000 1.064 530 V CB -1.089 30.696 31.823 -0.063 0.000 0.675 530 V HN 0.513 nan 8.190 nan 0.000 0.461 531 T N -1.574 113.041 114.554 0.103 0.000 2.777 531 T HA -0.208 4.142 4.350 -0.001 0.000 0.266 531 T C 1.663 176.486 174.700 0.204 0.000 1.040 531 T CA 1.557 63.747 62.100 0.151 0.000 1.141 531 T CB -0.386 68.614 68.868 0.219 0.000 0.868 531 T HN 0.570 nan 8.240 nan 0.000 0.444 532 E N 0.193 120.496 120.200 0.172 0.000 2.077 532 E HA -0.138 4.212 4.350 -0.001 0.000 0.193 532 E C 1.938 178.620 176.600 0.138 0.000 0.989 532 E CA 1.385 57.874 56.400 0.149 0.000 0.800 532 E CB -0.355 29.406 29.700 0.102 0.000 0.746 532 E HN 0.688 nan 8.360 nan 0.000 0.452 533 Y N 1.616 121.933 120.300 0.028 0.000 2.145 533 Y HA -0.200 4.351 4.550 0.002 0.000 0.286 533 Y C 2.043 177.932 175.900 -0.018 0.000 1.145 533 Y CA 1.362 59.463 58.100 0.002 0.000 1.148 533 Y CB -0.216 38.233 38.460 -0.019 0.000 0.981 533 Y HN -0.072 nan 8.280 nan 0.000 0.507 534 L N -1.143 120.106 121.223 0.044 0.000 2.042 534 L HA -0.294 4.046 4.340 -0.001 0.000 0.210 534 L C 2.189 178.893 176.870 -0.278 0.000 1.076 534 L CA 1.792 56.553 54.840 -0.133 0.000 0.749 534 L CB -0.845 41.136 42.059 -0.129 0.000 0.893 534 L HN 0.287 nan 8.230 nan 0.000 0.432 535 Y N -0.502 119.709 120.300 -0.148 0.000 2.220 535 Y HA -0.185 4.364 4.550 -0.002 0.000 0.291 535 Y C 2.641 178.425 175.900 -0.193 0.000 1.129 535 Y CA 1.042 59.038 58.100 -0.173 0.000 1.161 535 Y CB -0.326 38.054 38.460 -0.133 0.000 0.997 535 Y HN 0.121 nan 8.280 nan 0.000 0.522 536 A N -0.016 122.783 122.820 -0.036 0.000 2.019 536 A HA -0.169 4.151 4.320 -0.001 0.000 0.219 536 A C 1.571 179.040 177.584 -0.191 0.000 1.164 536 A CA 1.687 53.662 52.037 -0.104 0.000 0.644 536 A CB -0.447 18.489 19.000 -0.106 0.000 0.805 536 A HN 0.473 nan 8.150 nan 0.000 0.449 537 N N -0.064 118.446 118.700 -0.316 0.000 2.251 537 N HA 0.062 4.801 4.740 -0.001 0.000 0.217 537 N C -0.639 174.737 175.510 -0.223 0.000 1.124 537 N CA 0.035 52.896 53.050 -0.315 0.000 0.843 537 N CB 0.361 38.523 38.487 -0.543 0.000 1.024 537 N HN 0.182 nan 8.380 nan 0.000 0.501 541 F N 1.260 121.125 119.950 -0.142 0.000 2.683 541 F HA 0.306 4.829 4.527 -0.007 0.000 0.306 541 F C 1.232 177.096 175.800 0.107 0.000 1.102 541 F CA -0.247 57.751 58.000 -0.003 0.000 1.244 541 F CB 0.667 39.669 39.000 0.004 0.000 1.029 541 F HN 0.555 nan 8.300 nan 0.000 0.545 542 R N 2.210 122.823 120.500 0.189 0.000 2.347 542 R HA 0.167 4.507 4.340 -0.001 0.000 0.304 542 R C -1.246 175.237 176.300 0.306 0.000 1.072 542 R CA -0.034 56.210 56.100 0.240 0.000 0.980 542 R CB 0.135 30.550 30.300 0.192 0.000 0.986 542 R HN 0.365 nan 8.270 nan 0.000 0.448 543 Y N 3.417 123.789 120.300 0.120 0.000 2.499 543 Y HA 0.694 5.247 4.550 0.005 0.000 0.347 543 Y C -2.432 173.496 175.900 0.046 0.000 0.987 543 Y CA -2.358 55.788 58.100 0.077 0.000 1.044 543 Y CB 1.051 39.557 38.460 0.076 0.000 1.245 543 Y HN 0.490 nan 8.280 nan 0.000 0.461 544 P HA 0.146 nan 4.420 nan 0.000 0.276 544 P C -1.147 176.126 177.300 -0.046 0.000 1.261 544 P CA -0.539 62.617 63.100 0.095 0.000 0.800 544 P CB 1.288 33.016 31.700 0.046 0.000 1.066 545 E N 1.792 121.926 120.200 -0.110 0.000 2.324 545 E HA 0.120 4.470 4.350 -0.001 0.000 0.271 545 E C -1.693 174.640 176.600 -0.446 0.000 1.028 545 E CA -1.660 54.472 56.400 -0.446 0.000 0.890 545 E CB 0.209 29.586 29.700 -0.539 0.000 1.004 545 E HN 0.274 nan 8.360 nan 0.000 0.431 546 P HA -0.007 nan 4.420 nan 0.000 0.271 546 P C -0.069 177.051 177.300 -0.300 0.000 1.218 546 P CA 0.135 63.001 63.100 -0.389 0.000 0.780 546 P CB 1.330 32.726 31.700 -0.507 0.000 0.901 547 E N 0.972 121.072 120.200 -0.166 0.000 2.051 547 E HA -0.120 4.229 4.350 -0.001 0.000 0.189 547 E C 0.212 176.757 176.600 -0.091 0.000 0.979 547 E CA 0.589 56.915 56.400 -0.124 0.000 0.803 547 E CB 0.096 29.751 29.700 -0.076 0.000 0.761 547 E HN 0.398 nan 8.360 nan 0.000 0.451 548 D N 0.246 120.617 120.400 -0.049 0.000 2.467 548 D HA 0.029 4.668 4.640 -0.001 0.000 0.220 548 D C 0.361 176.679 176.300 0.030 0.000 1.103 548 D CA -0.195 53.800 54.000 -0.010 0.000 0.886 548 D CB 0.823 41.627 40.800 0.008 0.000 1.025 548 D HN -0.031 nan 8.370 nan 0.000 0.514 549 K N 2.372 122.784 120.400 0.021 0.000 2.147 549 K HA -0.103 4.216 4.320 -0.001 0.000 0.205 549 K C 1.668 178.353 176.600 0.141 0.000 1.049 549 K CA 0.829 57.173 56.287 0.095 0.000 0.936 549 K CB -0.428 32.116 32.500 0.074 0.000 0.722 549 K HN 0.429 nan 8.250 nan 0.000 0.446 550 A N 1.780 124.647 122.820 0.078 0.000 1.877 550 A HA -0.189 4.131 4.320 -0.001 0.000 0.216 550 A C 2.280 179.894 177.584 0.051 0.000 1.186 550 A CA 1.892 53.963 52.037 0.056 0.000 0.620 550 A CB -0.383 18.636 19.000 0.032 0.000 0.822 550 A HN 0.303 nan 8.150 nan 0.000 0.443 551 K N -1.945 118.489 120.400 0.057 0.000 2.097 551 K HA -0.156 4.164 4.320 -0.001 0.000 0.205 551 K C 1.900 178.534 176.600 0.058 0.000 1.050 551 K CA 1.407 57.719 56.287 0.042 0.000 0.938 551 K CB -0.362 32.161 32.500 0.039 0.000 0.718 551 K HN 0.526 nan 8.250 nan 0.000 0.442 552 Y N 0.787 121.082 120.300 -0.008 0.000 2.128 552 Y HA -0.264 4.286 4.550 0.001 0.000 0.284 552 Y C 1.718 177.625 175.900 0.011 0.000 1.154 552 Y CA 1.574 59.674 58.100 -0.000 0.000 1.149 552 Y CB -0.390 38.071 38.460 0.001 0.000 0.976 552 Y HN -0.168 nan 8.280 nan 0.000 0.505 553 V N 0.762 120.611 119.914 -0.108 0.000 2.283 553 V HA -0.278 3.842 4.120 -0.001 0.000 0.243 553 V C 2.227 178.236 176.094 -0.143 0.000 1.039 553 V CA 2.320 64.519 62.300 -0.168 0.000 1.016 553 V CB -0.602 31.212 31.823 -0.015 0.000 0.650 553 V HN 0.315 nan 8.190 nan 0.000 0.449 554 K N 0.017 120.371 120.400 -0.076 0.000 2.211 554 K HA -0.206 4.113 4.320 -0.001 0.000 0.204 554 K C 1.983 178.535 176.600 -0.079 0.000 1.047 554 K CA 1.583 57.831 56.287 -0.063 0.000 0.935 554 K CB -0.180 32.298 32.500 -0.036 0.000 0.728 554 K HN 0.569 nan 8.250 nan 0.000 0.452 555 E N 0.341 120.481 120.200 -0.099 0.000 2.285 555 E HA -0.082 4.268 4.350 -0.001 0.000 0.194 555 E C 1.337 177.870 176.600 -0.111 0.000 0.997 555 E CA 0.562 56.907 56.400 -0.091 0.000 0.845 555 E CB 0.199 29.852 29.700 -0.077 0.000 0.782 555 E HN 0.206 nan 8.360 nan 0.000 0.491 556 R N 0.785 121.188 120.500 -0.162 0.000 2.393 556 R HA 0.060 4.399 4.340 -0.001 0.000 0.244 556 R C 0.187 176.446 176.300 -0.069 0.000 0.920 556 R CA 0.080 56.097 56.100 -0.138 0.000 1.076 556 R CB 0.576 30.731 30.300 -0.242 0.000 1.119 556 R HN 0.044 nan 8.270 nan 0.000 0.524 557 T N -1.820 112.700 114.554 -0.057 0.000 2.884 557 T HA 0.075 4.424 4.350 -0.001 0.000 0.298 557 T C -0.248 174.476 174.700 0.039 0.000 0.998 557 T CA -0.756 61.340 62.100 -0.007 0.000 1.124 557 T CB 1.168 70.020 68.868 -0.027 0.000 0.931 557 T HN 0.220 nan 8.240 nan 0.000 0.531 558 W N 3.038 124.275 121.300 -0.105 0.000 2.190 558 W HA 0.503 5.162 4.660 -0.001 0.000 0.330 558 W C 0.195 176.646 176.519 -0.113 0.000 1.299 558 W CA -0.663 56.618 57.345 -0.107 0.000 1.215 558 W CB 0.559 29.939 29.460 -0.133 0.000 1.147 558 W HN 0.637 nan 8.180 nan 0.000 0.563 559 R N 1.997 121.995 120.500 -0.836 0.000 2.664 559 R HA 0.272 4.611 4.340 -0.001 0.000 0.286 559 R C 0.992 176.448 176.300 -1.406 0.000 0.967 559 R CA 0.018 55.649 56.100 -0.782 0.000 0.933 559 R CB 1.719 31.723 30.300 -0.493 0.000 1.146 559 R HN 0.498 nan 8.270 nan 0.000 0.468 560 S N 0.662 115.865 115.700 -0.827 0.000 2.593 560 S HA 0.073 4.542 4.470 -0.001 0.000 0.217 560 S C -0.142 174.142 174.600 -0.526 0.000 0.966 560 S CA -0.241 57.565 58.200 -0.657 0.000 0.914 560 S CB -0.158 62.919 63.200 -0.204 0.000 0.776 560 S HN 0.516 nan 8.310 nan 0.000 0.523 561 E N 1.517 121.431 120.200 -0.477 0.000 2.373 561 E HA 0.141 4.491 4.350 -0.001 0.000 0.267 561 E C -0.665 175.753 176.600 -0.304 0.000 1.032 561 E CA -0.409 55.773 56.400 -0.364 0.000 0.889 561 E CB 0.298 29.853 29.700 -0.242 0.000 0.984 561 E HN 0.528 nan 8.360 nan 0.000 0.425 562 Y N 0.946 121.159 120.300 -0.145 0.000 2.480 562 Y HA -0.023 4.526 4.550 -0.001 0.000 0.338 562 Y C 0.998 176.834 175.900 -0.106 0.000 1.220 562 Y CA 0.112 58.139 58.100 -0.121 0.000 1.430 562 Y CB 0.664 39.054 38.460 -0.115 0.000 1.311 562 Y HN 0.304 nan 8.280 nan 0.000 0.575 563 D N 0.506 120.971 120.400 0.109 0.000 2.268 563 D HA 0.107 4.746 4.640 -0.001 0.000 0.249 563 D C -0.641 175.691 176.300 0.053 0.000 1.008 563 D CA -0.447 53.581 54.000 0.047 0.000 0.939 563 D CB 1.856 42.679 40.800 0.040 0.000 1.170 563 D HN 0.362 nan 8.370 nan 0.000 0.468 564 S N 0.427 116.152 115.700 0.042 0.000 2.548 564 S HA 0.209 4.678 4.470 -0.001 0.000 0.277 564 S C 0.867 175.503 174.600 0.060 0.000 1.315 564 S CA -0.494 57.734 58.200 0.046 0.000 1.050 564 S CB 0.178 63.401 63.200 0.039 0.000 0.918 564 S HN 0.332 nan 8.310 nan 0.000 0.497 565 L N 4.852 126.122 121.223 0.078 0.000 2.769 565 L HA 0.341 4.681 4.340 -0.001 0.000 0.240 565 L C -0.017 176.894 176.870 0.070 0.000 1.163 565 L CA -0.155 54.739 54.840 0.091 0.000 0.962 565 L CB -0.131 42.016 42.059 0.147 0.000 1.258 565 L HN 0.479 nan 8.230 nan 0.000 0.513 566 L N 1.461 122.719 121.223 0.058 0.000 2.456 566 L HA 0.191 4.531 4.340 -0.001 0.000 0.272 566 L C -1.743 175.152 176.870 0.041 0.000 1.189 566 L CA -1.520 53.345 54.840 0.043 0.000 0.846 566 L CB 0.114 42.197 42.059 0.040 0.000 1.111 566 L HN -0.086 nan 8.230 nan 0.000 0.475 567 P HA 0.057 nan 4.420 nan 0.000 0.274 567 P C -0.877 176.452 177.300 0.048 0.000 1.231 567 P CA -0.497 62.621 63.100 0.030 0.000 0.790 567 P CB 0.456 32.159 31.700 0.005 0.000 0.951 568 D N 1.787 122.234 120.400 0.079 0.000 2.383 568 D HA 0.094 4.733 4.640 -0.001 0.000 0.245 568 D C -0.832 175.552 176.300 0.140 0.000 1.263 568 D CA 0.252 54.342 54.000 0.151 0.000 0.936 568 D CB -0.024 40.909 40.800 0.221 0.000 1.053 568 D HN -0.097 nan 8.370 nan 0.000 0.507 569 V N 5.819 125.790 119.914 0.096 0.000 2.435 569 V HA 0.514 4.633 4.120 -0.001 0.000 0.290 569 V C -0.413 175.740 176.094 0.099 0.000 1.030 569 V CA -0.534 61.749 62.300 -0.029 0.000 0.881 569 V CB 0.874 32.669 31.823 -0.047 0.000 0.983 569 V HN 0.447 nan 8.190 nan 0.000 0.445 570 Y N 1.285 121.576 120.300 -0.016 0.000 2.641 570 Y HA 0.697 5.246 4.550 -0.001 0.000 0.333 570 Y C -0.782 175.119 175.900 0.001 0.000 1.174 570 Y CA -1.314 56.794 58.100 0.014 0.000 1.057 570 Y CB 1.115 39.606 38.460 0.052 0.000 1.322 570 Y HN 0.520 nan 8.280 nan 0.000 0.457 571 E N 1.006 121.326 120.200 0.200 0.000 2.250 571 E HA 0.227 4.577 4.350 -0.001 0.000 0.269 571 E C -1.391 175.432 176.600 0.372 0.000 1.018 571 E CA -0.866 55.610 56.400 0.127 0.000 0.873 571 E CB 1.182 30.938 29.700 0.094 0.000 1.134 571 E HN 0.526 nan 8.360 nan 0.000 0.403 572 W N 3.690 125.041 121.300 0.085 0.000 2.316 572 W HA 0.248 4.908 4.660 -0.001 0.000 0.311 572 W C -1.370 175.189 176.519 0.066 0.000 1.217 572 W CA -2.175 55.229 57.345 0.099 0.000 1.199 572 W CB -0.361 29.135 29.460 0.059 0.000 1.202 572 W HN 0.473 nan 8.180 nan 0.000 0.528 573 P HA 0.000 nan 4.420 nan 0.000 0.216 573 P CA 0.000 63.172 63.100 0.121 0.000 0.800 573 P CB 0.000 31.741 31.700 0.069 0.000 0.726